5-[1-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-1-methyl-pyridin-2-one

Systemtic Name: 5-[1-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-1-methyl-pyridin-2-one Openeye Name: 5-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidyl]-1-methyl-pyridin-2-one CAS Name: 5-[1-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidinyl]-1-methyl-2-pyridinone IUPAC Name: 5-[1-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]piperidin-4-yl]-1-methylpyridin-2-one Traditional Name: 5-[1-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-piperidyl]-1-methyl-2-pyridone Formula: C29H38N8O MolecularWeight: 514.66502

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)N5CCC(CC5)C6=CN(C(=O)C=C6)C)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)N5CCC(CC5)C6=CN(C(=O)C=C6)C)N

InChI

InChI=1S/C29H38N8O/c1-33-13-15-36(16-14-33)26-18-27(32-29(30)31-26)37-12-9-21-3-5-25(17-24(21)20-37)35-10-7-22(8-11-35)23-4-6-28(38)34(2)19-23/h3-6,17-19,22H,7-16,20H2,1-2H3,(H2,30,31,32)