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

Systemtic Name: 1-ethyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 1-ethyl-3-isobutyl-6-thioxo-7H-purin-2-one CAS Name: 1-ethyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1-ethyl-3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 1-ethyl-3-isobutyl-6-thioxo-7H-purin-2-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)C2=C(N=CN2)N(C1=O)CC(C)C

Isomeric SMILES

CCN1C(=S)C2=C(N=CN2)N(C1=O)CC(C)C

InChI

InChI=1S/C11H16N4OS/c1-4-14-10(17)8-9(13-6-12-8)15(11(14)16)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,12,13)