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

Systemtic Name: 2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Openeye Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide CAS Name: 2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide IUPAC Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Traditional Name: 2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-N-(3-fluorobenzyl)-N-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide Formula: C27H32FN7O MolecularWeight: 489.587683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C(=O)N(C)CC5=CC(=CC=C5)F)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CCC4=C(C3)C=C(C=C4)C(=O)N(C)CC5=CC(=CC=C5)F)N

InChI

InChI=1S/C27H32FN7O/c1-32-10-12-34(13-11-32)24-16-25(31-27(29)30-24)35-9-8-20-6-7-21(15-22(20)18-35)26(36)33(2)17-19-4-3-5-23(28)14-19/h3-7,14-16H,8-13,17-18H2,1-2H3,(H2,29,30,31)