8-bromanyl-1,3-dimethyl-9-(phenanthridin-6-ylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-(phenanthridin-6-ylmethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-(phenanthridin-6-ylmethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-(6-phenanthridinylmethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-(phenanthridin-6-ylmethyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-(phenanthridin-6-ylmethyl)xanthine Formula: C21H16BrN5O2 MolecularWeight: 450.28804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC4=CC=CC=C4C5=CC=CC=C53)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=NC4=CC=CC=C4C5=CC=CC=C53)Br

InChI

InChI=1S/C21H16BrN5O2/c1-25-18-17(19(28)26(2)21(25)29)24-20(22)27(18)11-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)23-16/h3-10H,11H2,1-2H3