dimethyl 5-azanyl-3-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C(=O)OC)N

InChI

InChI=1S/C18H17N3O5S3/c1-4-6-21-15(22)9-5-7-27-14(9)20-18(21)28-8-10-11(16(23)25-2)13(19)29-12(10)17(24)26-3/h4-5,7H,1,6,8,19H2,2-3H3