3-azanyl-2-[3-[4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl]propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[3-[4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl]propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[3-[4-(7-methoxy-1-isoquinolyl)piperazin-1-yl]propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[3-[4-(7-methoxy-1-isoquinolinyl)-1-piperazinyl]propylthio]-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[3-[4-(7-methoxyisoquinolin-1-yl)piperazin-1-yl]propylsulfanyl]pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[3-[4-(7-methoxy-1-isoquinolyl)piperazino]propylthio]pyrido[2,3-d]pyrimidin-4-one Formula: C24H27N7O2S MolecularWeight: 477.58188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CCCSC4=NC5=C(C=CC=N5)C(=O)N4N

Isomeric SMILES

COC1=CC2=C(C=C1)C=CN=C2N3CCN(CC3)CCCSC4=NC5=C(C=CC=N5)C(=O)N4N

InChI

InChI=1S/C24H27N7O2S/c1-33-18-6-5-17-7-9-27-22(20(17)16-18)30-13-11-29(12-14-30)10-3-15-34-24-28-21-19(4-2-8-26-21)23(32)31(24)25/h2,4-9,16H,3,10-15,25H2,1H3