2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3-one Openeye Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3-one CAS Name: 2-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3-one Traditional Name: 2-[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3-one Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)N3CC4=CC=CC=C4CC3=O)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)N3CC4=CC=CC=C4CC3=O)N

InChI

InChI=1S/C18H22N6O/c1-22-6-8-23(9-7-22)15-11-16(21-18(19)20-15)24-12-14-5-3-2-4-13(14)10-17(24)25/h2-5,11H,6-10,12H2,1H3,(H2,19,20,21)