3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C16H15N7O4 MolecularWeight: 369.3348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)[N+](=O)[O-])CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CC=C

InChI

InChI=1S/C16H15N7O4/c1-3-7-22-12-13(21(2)16(25)19-14(12)24)18-15(22)20-17-9-10-5-4-6-11(8-10)23(26)27/h3-6,8-9H,1,7H2,2H3,(H,18,20)(H,19,24,25)/b17-9+