dimethyl 5-azanyl-3-[(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5,6-dimethyl-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-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)CC=C)C

InChI

InChI=1S/C20H21N3O5S3/c1-6-7-23-17(24)12-9(2)10(3)30-16(12)22-20(23)29-8-11-13(18(25)27-4)15(21)31-14(11)19(26)28-5/h6H,1,7-8,21H2,2-5H3