8-[(2E)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-(1-methylpentylidene)hydrazino]-7-octyl-purine-2,6-dione CAS Name: 8-[(2E)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-(1-methylpentylidene)hydrazino]-7-octyl-xanthine Formula: C20H34N6O2 MolecularWeight: 390.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=C(C)CCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C(\C)/CCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H34N6O2/c1-5-7-9-10-11-12-14-26-16-17(25(4)20(28)22-18(16)27)21-19(26)24-23-15(3)13-8-6-2/h5-14H2,1-4H3,(H,21,24)(H,22,27,28)/b23-15+