3-methyl-7-nonyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-nonyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-nonyl-8-[(2E)-2-(1-phenylbutylidene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-nonyl-8-[(N'E)-N'-(1-phenylbutylidene)hydrazino]xanthine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NN=C(CCC)C3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N/N=C(\CCC)/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H36N6O2/c1-4-6-7-8-9-10-14-18-31-21-22(30(3)25(33)27-23(21)32)26-24(31)29-28-20(15-5-2)19-16-12-11-13-17-19/h11-13,16-17H,4-10,14-15,18H2,1-3H3,(H,26,29)(H,27,32,33)/b28-20+