2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-pyrimidin-5-yl-phthalazin-1-one

Systemtic Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-pyrimidin-5-yl-phthalazin-1-one Openeye Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridyl]-4-pyrimidin-5-yl-phthalazin-1-one CAS Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridinyl]-4-(5-pyrimidinyl)-1-phthalazinone IUPAC Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-pyrimidin-5-ylphthalazin-1-one Traditional Name: 2-[4-[(3S)-6,7-dimethoxy-3-methylol-3,4-dihydroisoquinolin-1-yl]-2-pyridyl]-4-(5-pyrimidyl)phthalazin-1-one Formula: C29H24N6O4 MolecularWeight: 520.53866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2C(=C1)C[C@H](N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CN=C6)CO)OC

InChI

InChI=1S/C29H24N6O4/c1-38-24-10-18-9-20(15-36)33-27(23(18)12-25(24)39-2)17-7-8-32-26(11-17)35-29(37)22-6-4-3-5-21(22)28(34-35)19-13-30-16-31-14-19/h3-8,10-14,16,20,36H,9,15H2,1-2H3/t20-/m0/s1