ethyl 4-[3,7-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-1-yl]butanoate

Systemtic Name: ethyl 4-[3,7-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-1-yl]butanoate Openeye Name: ethyl 4-(3,7-dimethyl-2,6-dioxo-8-thioxo-9H-purin-1-yl)butanoate CAS Name: 4-(3,7-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-1-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(3,7-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-1-yl)butanoate Traditional Name: 4-(2,6-diketo-3,7-dimethyl-8-thioxo-9H-purin-1-yl)butyric acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(NC(=S)N2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(NC(=S)N2C)N(C1=O)C

InChI

InChI=1S/C13H18N4O4S/c1-4-21-8(18)6-5-7-17-11(19)9-10(16(3)13(17)20)14-12(22)15(9)2/h4-7H2,1-3H3,(H,14,22)