ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-[(E)-but-2-enyl]-2,6-diketo-3-methyl-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=CC)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H18N4O4S/c1-4-6-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-9(19)22-5-2/h4,6H,5,7-8H2,1-3H3,(H,16,20,21)/b6-4+