5-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(4-oxidanylcyclohexyl)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-(4-oxidanylcyclohexyl)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-(4-hydroxycyclohexyl)pyridine-2-carboxamide CAS Name: 5-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(4-hydroxycyclohexyl)-2-pyridinecarboxamide IUPAC Name: 5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(4-hydroxycyclohexyl)pyridine-2-carboxamide Traditional Name: 5-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(4-hydroxycyclohexyl)picolinamide Formula: C30H38N8O2 MolecularWeight: 542.67512

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C5=CN=C(C=C5)C(=O)NC6CCC(CC6)O)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C5=CN=C(C=C5)C(=O)NC6CCC(CC6)O)N

InChI

InChI=1S/C30H38N8O2/c1-36-12-14-37(15-13-36)27-17-28(35-30(31)34-27)38-11-10-20-2-3-21(16-23(20)19-38)22-4-9-26(32-18-22)29(40)33-24-5-7-25(39)8-6-24/h2-4,9,16-18,24-25,39H,5-8,10-15,19H2,1H3,(H,33,40)(H2,31,34,35)