8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazino]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[1-(4-chlorophenyl)ethylidene]hydrazino]-7-heptyl-3-methyl-xanthine Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27ClN6O2/c1-4-5-6-7-8-13-28-17-18(27(3)21(30)24-19(17)29)23-20(28)26-25-14(2)15-9-11-16(22)12-10-15/h9-12H,4-8,13H2,1-3H3,(H,23,26)(H,24,29,30)/b25-14+