N-(3-azanyl-4-methyl-phenyl)-N-[3-(2-cyanopropan-2-yl)phenyl]carbonyl-6-methyl-2-(3-oxidanylidenepiperazin-1-yl)pyrimidine-4-carboxamide

Systemtic Name: N-(3-azanyl-4-methyl-phenyl)-N-[3-(2-cyanopropan-2-yl)phenyl]carbonyl-6-methyl-2-(3-oxidanylidenepiperazin-1-yl)pyrimidine-4-carboxamide Openeye Name: N-(3-amino-4-methyl-phenyl)-N-[3-(1-cyano-1-methyl-ethyl)benzoyl]-6-methyl-2-(3-oxopiperazin-1-yl)pyrimidine-4-carboxamide CAS Name: N-(3-amino-4-methylphenyl)-N-[[3-(2-cyanopropan-2-yl)phenyl]-oxomethyl]-6-methyl-2-(3-oxo-1-piperazinyl)-4-pyrimidinecarboxamide IUPAC Name: N-(3-amino-4-methylphenyl)-N-[3-(2-cyanopropan-2-yl)benzoyl]-6-methyl-2-(3-oxopiperazin-1-yl)pyrimidine-4-carboxamide Traditional Name: N-(3-amino-4-methyl-phenyl)-N-[3-(1-cyano-1-methyl-ethyl)benzoyl]-2-(3-ketopiperazino)-6-methyl-pyrimidine-4-carboxamide Formula: C28H29N7O3 MolecularWeight: 511.57496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(=O)C2=CC(=CC=C2)C(C)(C)C#N)C(=O)C3=CC(=NC(=N3)N4CCNC(=O)C4)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(=O)C2=CC(=CC=C2)C(C)(C)C#N)C(=O)C3=CC(=NC(=N3)N4CCNC(=O)C4)C)N

InChI

InChI=1S/C28H29N7O3/c1-17-8-9-21(14-22(17)30)35(25(37)19-6-5-7-20(13-19)28(3,4)16-29)26(38)23-12-18(2)32-27(33-23)34-11-10-31-24(36)15-34/h5-9,12-14H,10-11,15,30H2,1-4H3,(H,31,36)