1-(3-methylbutyl)-3-(2-methylpropyl)-2-oxidanylidene-8-sulfanylidene-7H-purin-6-olate

Systemtic Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-2-oxidanylidene-8-sulfanylidene-7H-purin-6-olate Openeye Name: 3-isobutyl-1-isopentyl-2-oxo-8-thioxo-7H-purin-6-olate CAS Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-2-oxo-8-sulfanylidene-7H-purin-6-olate IUPAC Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-2-oxo-8-sulfanylidene-7H-purin-6-olate Traditional Name: 1-isoamyl-3-isobutyl-2-keto-8-thioxo-7H-purin-6-olate Formula: C14H21N4O2S- MolecularWeight: 309.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C2C(=NC(=S)N2)N(C1=O)CC(C)C)[O-]

Isomeric SMILES

CC(C)CCN1C(=C2C(=NC(=S)N2)N(C1=O)CC(C)C)[O-]

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/h8-9,19H,5-7H2,1-4H3,(H,15,21)/p-1