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

Systemtic Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylbutylidene)hydrazino]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[(N'E)-N'-(1-phenylbutylidene)hydrazino]xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NN=C(CCC)C3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N/N=C(\CCC)/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O2/c1-4-6-7-11-15-28-18-19(27(3)22(30)24-20(18)29)23-21(28)26-25-17(12-5-2)16-13-9-8-10-14-16/h8-10,13-14H,4-7,11-12,15H2,1-3H3,(H,23,26)(H,24,29,30)/b25-17+