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

Systemtic Name: 3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-isobutyl-6-thioxo-7H-purin-2-one CAS Name: 3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-(2-methylpropyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-isobutyl-6-thioxo-7H-purin-2-one Formula: C9H12N4OS MolecularWeight: 224.28278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=S)NC1=O)NC=N2

Isomeric SMILES

CC(C)CN1C2=C(C(=S)NC1=O)NC=N2

InChI

InChI=1S/C9H12N4OS/c1-5(2)3-13-7-6(10-4-11-7)8(15)12-9(13)14/h4-5H,3H2,1-2H3,(H,10,11)(H,12,14,15)