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

Systemtic Name: 6-ethenyl-8-(phenylmethyl)-2-[(6-piperazin-1-ylpyridin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-benzyl-2-[(6-piperazin-1-yl-3-pyridyl)amino]-6-vinyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 6-ethenyl-8-(phenylmethyl)-2-[[6-(1-piperazinyl)-3-pyridinyl]amino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-benzyl-6-ethenyl-2-[(6-piperazin-1-ylpyridin-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-benzyl-2-[(6-piperazino-3-pyridyl)amino]-6-vinyl-pyrido[2,3-d]pyrimidin-7-one Formula: C25H25N7O MolecularWeight: 439.5123

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC2=CN=C(N=C2N(C1=O)CC3=CC=CC=C3)NC4=CN=C(C=C4)N5CCNCC5

Isomeric SMILES

C=CC1=CC2=CN=C(N=C2N(C1=O)CC3=CC=CC=C3)NC4=CN=C(C=C4)N5CCNCC5

InChI

InChI=1S/C25H25N7O/c1-2-19-14-20-15-28-25(29-21-8-9-22(27-16-21)31-12-10-26-11-13-31)30-23(20)32(24(19)33)17-18-6-4-3-5-7-18/h2-9,14-16,26H,1,10-13,17H2,(H,28,29,30)