1,3-dimethyl-7-(phenanthridin-6-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenanthridin-6-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(phenanthridin-6-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(6-phenanthridinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(phenanthridin-6-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(phenanthridin-6-ylmethyl)xanthine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C21H17N5O2/c1-24-19-18(20(27)25(2)21(24)28)26(12-22-19)11-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)23-17/h3-10,12H,11H2,1-2H3