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

Systemtic Name: 8-[(2Z)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2Z)-2-(1-methylpentylidene)hydrazino]-7-nonyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-hexan-2-ylidenehydrazinyl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'Z)-N'-(1-methylpentylidene)hydrazino]-7-nonyl-xanthine Formula: C21H36N6O2 MolecularWeight: 404.54954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NN=C(C)CCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N/N=C(/C)\CCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H36N6O2/c1-5-7-9-10-11-12-13-15-27-17-18(26(4)21(29)23-19(17)28)22-20(27)25-24-16(3)14-8-6-2/h5-15H2,1-4H3,(H,22,25)(H,23,28,29)/b24-16-