5-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-methyl-2-oxidanyl-propyl)pyridine-2-carboxamide

Systemtic Name: 5-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-methyl-2-oxidanyl-propyl)pyridine-2-carboxamide Openeye Name: 5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-hydroxy-2-methyl-propyl)pyridine-2-carboxamide CAS Name: 5-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-hydroxy-2-methylpropyl)-2-pyridinecarboxamide IUPAC Name: 5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide Traditional Name: 5-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-hydroxy-2-methyl-propyl)picolinamide Formula: C28H36N8O2 MolecularWeight: 516.63784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=NC=C(C=C1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2)O

Isomeric SMILES

CC(C)(CNC(=O)C1=NC=C(C=C1)C2=CC3=C(CCN(C3)C4=CC(=NC(=N4)N)N5CCN(CC5)C)C=C2)O

InChI

InChI=1S/C28H36N8O2/c1-28(2,38)18-31-26(37)23-7-6-21(16-30-23)20-5-4-19-8-9-36(17-22(19)14-20)25-15-24(32-27(29)33-25)35-12-10-34(3)11-13-35/h4-7,14-16,38H,8-13,17-18H2,1-3H3,(H,31,37)(H2,29,32,33)