6-ethenyl-5-methyl-8-(phenylmethyl)-2-[(6-piperazin-1-ylpyridin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 6-ethenyl-5-methyl-8-(phenylmethyl)-2-[(6-piperazin-1-ylpyridin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-benzyl-5-methyl-2-[(6-piperazin-1-yl-3-pyridyl)amino]-6-vinyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-ethenyl-5-methyl-8-(phenylmethyl)-2-[[6-(1-piperazinyl)-3-pyridinyl]amino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-benzyl-6-ethenyl-5-methyl-2-[(6-piperazin-1-ylpyridin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-benzyl-5-methyl-2-[(6-piperazino-3-pyridyl)amino]-6-vinyl-pyrido[2,3-d]pyrimidin-7-one Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=CN=C(C=C3)N4CCNCC4)CC5=CC=CC=C5)C=C

Isomeric SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=CN=C(C=C3)N4CCNCC4)CC5=CC=CC=C5)C=C

InChI

InChI=1S/C26H27N7O/c1-3-21-18(2)22-16-29-26(30-20-9-10-23(28-15-20)32-13-11-27-12-14-32)31-24(22)33(25(21)34)17-19-7-5-4-6-8-19/h3-10,15-16,27H,1,11-14,17H2,2H3,(H,29,30,31)