3-(3-nitrophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(3-nitrophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-(3-nitrophenyl)-7H-purine-2,6-dione CAS Name: 3-(3-nitrophenyl)-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-(3-nitrophenyl)-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-(3-nitrophenyl)-7H-purine-2,6-quinone Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4/c24-17-15-16(20-11-19-15)22(13-7-4-8-14(9-13)23(26)27)18(25)21(17)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,20)