7-methyl-3-propyl-6-sulfanylidene-purin-2-one

Systemtic Name: 7-methyl-3-propyl-6-sulfanylidene-purin-2-one Openeye Name: 7-methyl-3-propyl-6-thioxo-purin-2-one CAS Name: 7-methyl-3-propyl-6-sulfanylidene-2-purinone IUPAC Name: 7-methyl-3-propyl-6-sulfanylidenepurin-2-one Traditional Name: 7-methyl-3-propyl-6-thioxo-purin-2-one Formula: C9H12N4OS MolecularWeight: 224.28278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=S)NC1=O)N(C=N2)C

Isomeric SMILES

CCCN1C2=C(C(=S)NC1=O)N(C=N2)C

InChI

InChI=1S/C9H12N4OS/c1-3-4-13-7-6(12(2)5-10-7)8(15)11-9(13)14/h5H,3-4H2,1-2H3,(H,11,14,15)