7-hexyl-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[(N'Z)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C19H23N7O4 MolecularWeight: 413.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N/N=C\C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23N7O4/c1-3-4-5-6-10-25-15-16(24(2)19(28)22-17(15)27)21-18(25)23-20-12-13-8-7-9-14(11-13)26(29)30/h7-9,11-12H,3-6,10H2,1-2H3,(H,21,23)(H,22,27,28)/b20-12-