7-dodecyl-3-methyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-[(N'Z)-N'-[1-(3-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C26H37N7O4 MolecularWeight: 511.61648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N/N=C(/C)\C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C26H37N7O4/c1-4-5-6-7-8-9-10-11-12-13-17-32-22-23(31(3)26(35)28-24(22)34)27-25(32)30-29-19(2)20-15-14-16-21(18-20)33(36)37/h14-16,18H,4-13,17H2,1-3H3,(H,27,30)(H,28,34,35)/b29-19-