3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(3-isopropylisoxazol-5-yl)methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-propan-2-yl-5-isoxazolyl)methyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[(3-isopropylisoxazol-5-yl)methyl]-2-thioxo-7H-purin-6-one Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)CN2C3=C(C(=O)NC2=S)NC=N3

Isomeric SMILES

CC(C)C1=NOC(=C1)CN2C3=C(C(=O)NC2=S)NC=N3

InChI

InChI=1S/C12H13N5O2S/c1-6(2)8-3-7(19-16-8)4-17-10-9(13-5-14-10)11(18)15-12(17)20/h3,5-6H,4H2,1-2H3,(H,13,14)(H,15,18,20)