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

Systemtic Name: 2-[[4-(4-aminocarbonylpiperazin-1-yl)phenyl]amino]-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-carbamoylpiperazin-1-yl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-carbamoyl-1-piperazinyl)anilino]-4-(3-methylanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-carbamoylpiperazin-1-yl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-carbamoylpiperazino)anilino]-4-(m-toluidino)pyrimidine-5-carboxamide Formula: C23H26N8O2 MolecularWeight: 446.50494

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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)N4CCN(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)N

InChI

InChI=1S/C23H26N8O2/c1-15-3-2-4-17(13-15)27-21-19(20(24)32)14-26-23(29-21)28-16-5-7-18(8-6-16)30-9-11-31(12-10-30)22(25)33/h2-8,13-14H,9-12H2,1H3,(H2,24,32)(H2,25,33)(H2,26,27,28,29)