3-phenyl-1-(pyridin-4-ylmethyl)-7H-purine-2,6-dione hydrochloride

Systemtic Name: 3-phenyl-1-(pyridin-4-ylmethyl)-7H-purine-2,6-dione hydrochloride Openeye Name: 3-phenyl-1-(4-pyridylmethyl)-7H-purine-2,6-dione hydrochloride CAS Name: 3-phenyl-1-(pyridin-4-ylmethyl)-7H-purine-2,6-dione hydrochloride IUPAC Name: 3-phenyl-1-(pyridin-4-ylmethyl)-7H-purine-2,6-dione hydrochloride Traditional Name: 3-phenyl-1-(4-pyridylmethyl)-7H-purine-2,6-quinone hydrochloride Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=NC=C4)NC=N3.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=NC=C4)NC=N3.Cl

InChI

InChI=1S/C17H13N5O2.ClH/c23-16-14-15(20-11-19-14)22(13-4-2-1-3-5-13)17(24)21(16)10-12-6-8-18-9-7-12;/h1-9,11H,10H2,(H,19,20);1H