ethyl 5-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Openeye Name: ethyl 3-allyl-5-methyl-4-oxo-2-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Traditional Name: 3-allyl-4-keto-5-methyl-2-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C1NC(=S)N(C2=O)CC=C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C1NC(=S)N(C2=O)CC=C)C

InChI

InChI=1S/C13H15N3O3S/c1-4-6-16-11(17)10-9(14-13(16)20)8(7-15(10)3)12(18)19-5-2/h4,7H,1,5-6H2,2-3H3,(H,14,20)