4-(pyrimidin-4-ylmethyl)-2H-phthalazin-1-one

Systemtic Name: 4-(pyrimidin-4-ylmethyl)-2H-phthalazin-1-one Openeye Name: 4-(pyrimidin-4-ylmethyl)-2H-phthalazin-1-one CAS Name: 4-(4-pyrimidinylmethyl)-2H-phthalazin-1-one IUPAC Name: 4-(pyrimidin-4-ylmethyl)-2H-phthalazin-1-one Traditional Name: 4-(4-pyrimidylmethyl)-2H-phthalazin-1-one Formula: C13H10N4O MolecularWeight: 238.2447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=NC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=NC=NC=C3

InChI

InChI=1S/C13H10N4O/c18-13-11-4-2-1-3-10(11)12(16-17-13)7-9-5-6-14-8-15-9/h1-6,8H,7H2,(H,17,18)