5-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-pyridylmethyl)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-pyridinylmethyl)-2-pyridinecarboxamide IUPAC Name: 5-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide Traditional Name: 5-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]-N-(2-pyridylmethyl)picolinamide Formula: C30H33N9O MolecularWeight: 535.64272

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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)NCC6=CC=CC=N6)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C5=CN=C(C=C5)C(=O)NCC6=CC=CC=N6)N

InChI

InChI=1S/C30H33N9O/c1-37-12-14-38(15-13-37)27-17-28(36-30(31)35-27)39-11-9-21-5-6-22(16-24(21)20-39)23-7-8-26(33-18-23)29(40)34-19-25-4-2-3-10-32-25/h2-8,10,16-18H,9,11-15,19-20H2,1H3,(H,34,40)(H2,31,35,36)