methyl 2-[[furan-2-ylmethyl-(2-oxidanyl-3-prop-2-ynoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[furan-2-ylmethyl-(2-oxidanyl-3-prop-2-ynoxy-propyl)amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[2-furylmethyl-(2-hydroxy-3-prop-2-ynoxy-propyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-furanylmethyl-(2-hydroxy-3-prop-2-ynoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[furan-2-ylmethyl-(2-hydroxy-3-prop-2-ynoxypropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-furfuryl-(2-hydroxy-3-propargyloxy-propyl)amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CO3)CC(COCC#C)O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC3=CC=CO3)CC(COCC#C)O)C(=O)OC

InChI

InChI=1S/C21H23N3O6S/c1-4-7-29-12-14(25)9-24(10-15-6-5-8-30-15)11-16-22-19(26)17-13(2)18(21(27)28-3)31-20(17)23-16/h1,5-6,8,14,25H,7,9-12H2,2-3H3,(H,22,23,26)