Nerandomilast

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25ClN6O2S
Molecular Weight	448.97
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCC1(CCC1)NC2=C3[S@+]([O-])CCC3=NC(=N2)N4CCC(CC4)C5=NC=C(Cl)C=N5

InChI

InChIKey=UHYCLWAANUGUMN-SSEXGKCCSA-N

InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25ClN6O2S
Molecular Weight	448.97
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:57:58 UTC 2023` Edited by `admin` on `Sat Dec 16 14:57:58 UTC 2023`
Record UNII	I5DGT51IB8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Nerandomilast

Official Name

English

nerandomilast [INN]

Common Name

English

BI-1015550

Code

English

1-[[(5R)-2-[4-(5-Chloro-2-pyrimidinyl)-1-piperidinyl]-6,7-dihydro-5-oxidothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutanemethanol

Systematic Name

English

Cyclobutanemethanol, 1-[[(5R)-2-[4-(5-chloro-2-pyrimidinyl)-1-piperidinyl]-6,7-dihydro-5-oxidothieno[3,2-d]pyrimidin-4-yl]amino]-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

896222