2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-1-yl]pyridin-2-yl]-4-thiophen-2-yl-phthalazin-1-one hydrochloride

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-1-yl]pyridin-2-yl]-4-thiophen-2-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolyl]-2-pyridyl]-4-(2-thienyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolinyl]-2-pyridinyl]-4-thiophen-2-yl-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxyisoquinolin-1-yl]pyridin-2-yl]-4-thiophen-2-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(6,7-dimethoxy-3-methylol-1-isoquinolyl)-2-pyridyl]-4-(2-thienyl)phthalazin-1-one hydrochloride Formula: C29H23ClN4O4S MolecularWeight: 559.03532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6)CO)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6)CO)OC.Cl

InChI

InChI=1S/C29H22N4O4S.ClH/c1-36-23-13-18-12-19(16-34)31-27(22(18)15-24(23)37-2)17-9-10-30-26(14-17)33-29(35)21-7-4-3-6-20(21)28(32-33)25-8-5-11-38-25;/h3-15,34H,16H2,1-2H3;1H