1-methyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1-methyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-isobutyl-1-methyl-6-thioxo-7H-purin-2-one CAS Name: 1-methyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1-methyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-isobutyl-1-methyl-6-thioxo-7H-purin-2-one Formula: C10H14N4OS MolecularWeight: 238.30936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=S)N(C1=O)C)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=S)N(C1=O)C)NC=N2

InChI

InChI=1S/C10H14N4OS/c1-6(2)4-14-8-7(11-5-12-8)9(16)13(3)10(14)15/h5-6H,4H2,1-3H3,(H,11,12)