methyl 5-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H17N5O3S2 MolecularWeight: 391.46788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3CC=C)C)C(=O)OC

InChI

InChI=1S/C16H17N5O3S2/c1-5-6-21-9(3)19-20-16(21)25-7-10-17-13(22)11-8(2)12(15(23)24-4)26-14(11)18-10/h5H,1,6-7H2,2-4H3,(H,17,18,22)