5-methyl-8-(3-methylbutyl)-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 5-methyl-8-(3-methylbutyl)-2-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-isopentyl-5-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one CAS Name: 5-methyl-8-(3-methylbutyl)-2-[4-(1-piperazinyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 5-methyl-8-(3-methylbutyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-isoamyl-5-methyl-2-(4-piperazinoanilino)pyrido[2,3-d]pyrimidin-7-one Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCNCC4)CCC(C)C

Isomeric SMILES

CC1=CC(=O)N(C2=NC(=NC=C12)NC3=CC=C(C=C3)N4CCNCC4)CCC(C)C

InChI

InChI=1S/C23H30N6O/c1-16(2)8-11-29-21(30)14-17(3)20-15-25-23(27-22(20)29)26-18-4-6-19(7-5-18)28-12-9-24-10-13-28/h4-7,14-16,24H,8-13H2,1-3H3,(H,25,26,27)