3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazino]-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-[1-(4-nitrophenyl)ethylidene]hydrazino]-7-propyl-xanthine Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19N7O4/c1-4-9-23-13-14(22(3)17(26)19-15(13)25)18-16(23)21-20-10(2)11-5-7-12(8-6-11)24(27)28/h5-8H,4,9H2,1-3H3,(H,18,21)(H,19,25,26)/b20-10+