1,3-dimethyl-8-[4-[(4-nitrophenyl)methoxy]phenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-[(4-nitrophenyl)methoxy]phenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-[(4-nitrophenyl)methoxy]phenyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[(4-nitrophenyl)methoxy]phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-[(4-nitrophenyl)methoxy]phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(4-nitrobenzyl)oxyphenyl]-7H-purine-2,6-quinone Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c1-23-18-16(19(26)24(2)20(23)27)21-17(22-18)13-5-9-15(10-6-13)30-11-12-3-7-14(8-4-12)25(28)29/h3-10H,11H2,1-2H3,(H,21,22)