3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione

Systemtic Name: 3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione Openeye Name: 1-[(2-nitrophenyl)methyl]-3-(o-tolyl)-7H-purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-(2-methylphenyl)-1-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione Traditional Name: 1-(2-nitrobenzyl)-3-(o-tolyl)-7H-purine-2,6-quinone Formula: C19H15N5O4 MolecularWeight: 377.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4[N+](=O)[O-])NC=N3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4[N+](=O)[O-])NC=N3

InChI

InChI=1S/C19H15N5O4/c1-12-6-2-4-8-14(12)23-17-16(20-11-21-17)18(25)22(19(23)26)10-13-7-3-5-9-15(13)24(27)28/h2-9,11H,10H2,1H3,(H,20,21)