[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-(2-methylphenyl)methanone Openeye Name: [4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-(o-tolyl)methanone CAS Name: [4-amino-2-[4-(4-methyl-1-piperazinyl)anilino]-5-pyrimidinyl]-(2-methylphenyl)methanone IUPAC Name: [4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-(2-methylphenyl)methanone Traditional Name: [4-amino-2-[4-(4-methylpiperazino)anilino]pyrimidin-5-yl]-(o-tolyl)methanone Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H26N6O/c1-16-5-3-4-6-19(16)21(30)20-15-25-23(27-22(20)24)26-17-7-9-18(10-8-17)29-13-11-28(2)12-14-29/h3-10,15H,11-14H2,1-2H3,(H3,24,25,26,27)