4-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-cyclopropyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-cyclopropyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-cyclopropyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-cyclopropyl-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-cyclopropyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-3-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-cyclopropyl-1-methyl-pyrrole-2-carboxamide Formula: C28H36N8O MolecularWeight: 500.63844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(CN1C3=CC(=NC(=N3)N)N4CCN(CC4)C)C=C(C=C2)C5=CN(C(=C5)C(=O)NC6CC6)C

Isomeric SMILES

CC1CC2=C(CN1C3=CC(=NC(=N3)N)N4CCN(CC4)C)C=C(C=C2)C5=CN(C(=C5)C(=O)NC6CC6)C

InChI

InChI=1S/C28H36N8O/c1-18-12-19-4-5-20(22-14-24(34(3)16-22)27(37)30-23-6-7-23)13-21(19)17-36(18)26-15-25(31-28(29)32-26)35-10-8-33(2)9-11-35/h4-5,13-16,18,23H,6-12,17H2,1-3H3,(H,30,37)(H2,29,31,32)