1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione

Systemtic Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione Openeye Name: 3-isobutyl-1-isopentyl-8-thioxo-7,9-dihydropurine-2,6-dione CAS Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione IUPAC Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-8-sulfanylidene-7,9-dihydropurine-2,6-dione Traditional Name: 1-isoamyl-3-isobutyl-8-thioxo-7,9-dihydropurine-2,6-quinone Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(NC(=S)N2)N(C1=O)CC(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(NC(=S)N2)N(C1=O)CC(C)C

InChI

InChI=1S/C14H22N4O2S/c1-8(2)5-6-17-12(19)10-11(16-13(21)15-10)18(14(17)20)7-9(3)4/h8-9H,5-7H2,1-4H3,(H2,15,16,21)