Furo(2,3d)pyrimidine antifolate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H22N6O6
Molecular Weight	442.4253
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Furo(2,3d)pyrimidine antifolate

Structure Search

SMILES

CN(CC1=COC2=C1C(N)=NC(N)=N2)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=WXINNGCGSCFUCR-ZDUSSCGKSA-N

InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H22N6O6
Molecular Weight	442.4253
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:56:50 GMT 2025` Edited by `admin` on `Tue Apr 01 16:56:50 GMT 2025`
Record UNII	VBP3BN3U2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MTXO

Preferred Name

English

Furo(2,3d)pyrimidine antifolate

Common Name

English

L-Glutamic acid, N-[4-[[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl]methylamino]benzoyl]-

Systematic Name

English

N-[4-[[(2,4-Diaminofuro[2,3-d]pyrimidin-5-yl)methyl]methylamino]benzoyl]-L-glutamic acid (ACI)

Systematic Name

English

N-(4-(N-((2,4-diamino-furo(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)glutamic acid

Systematic Name

English

(2S)-2-({4-[({2,4-diaminofuro[2,3-d]pyrimidin-5-yl}methyl)(methyl)amino]phenyl}formamido)pentanedioic acid

Systematic Name

English

Code System Code Type Description

CAS

156595-85-6