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

Systemtic Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2/c1-4-5-6-10-13-26-16-17(25(3)20(28)22-18(16)27)21-19(26)24-23-14(2)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,21,24)(H,22,27,28)/b23-14+