2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-4-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-4-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-2-[4-(4-methylpiperazino)anilino]pyrimidine-5-carboxamide Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C23H27N7O/c1-29-11-13-30(14-12-29)19-9-7-18(8-10-19)27-23-26-16-20(21(24)31)22(28-23)25-15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H2,24,31)(H2,25,26,27,28)