ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H18N4O4S/c1-5-7-18-10-11(16(3)14(21)17(4)12(10)20)15-13(18)23-8-9(19)22-6-2/h5H,1,6-8H2,2-4H3