4-[(3-methylphenyl)amino]-2-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-[(3-methylphenyl)amino]-2-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-(3-methylanilino)-2-[4-(3-oxopiperazin-1-yl)anilino]pyrimidine-5-carboxamide CAS Name: 4-(3-methylanilino)-2-[4-(3-oxo-1-piperazinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(3-methylanilino)-2-[4-(3-oxopiperazin-1-yl)anilino]pyrimidine-5-carboxamide Traditional Name: 2-[4-(3-ketopiperazino)anilino]-4-(m-toluidino)pyrimidine-5-carboxamide Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H23N7O2/c1-14-3-2-4-16(11-14)26-21-18(20(23)31)12-25-22(28-21)27-15-5-7-17(8-6-15)29-10-9-24-19(30)13-29/h2-8,11-12H,9-10,13H2,1H3,(H2,23,31)(H,24,30)(H2,25,26,27,28)