SCH-900875

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H37ClN8O2
Molecular Weight	553.099
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNC1=NN=C(O1)C2=CN=C(N3C[C@H](CC)N(C[C@H]3C)C4CCN(CC4)C(=O)C5=CC=C(Cl)C=C5)C(C)=N2

InChI

InChIKey=MDHIGNOFHUSPMA-GCJKJVERSA-N

InChI=1S/C28H37ClN8O2/c1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20/h7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34)/t18-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H37ClN8O2
Molecular Weight	553.099
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:13:34 UTC 2023` Edited by `admin` on `Fri Dec 15 16:13:34 UTC 2023`
Record UNII	UT1KIF40Z8
Record Status	`Validated (UNII)`
Record Version