ethyl 4-azanyl-2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[[1-(3-methoxyphenyl)-2-imidazolyl]thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[[1-(3-methoxyphenyl)imidazol-2-yl]thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC=CN3C4=CC(=CC=C4)OC)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC=CN3C4=CC(=CC=C4)OC)N)C

InChI

InChI=1S/C21H21N5O3S2/c1-4-29-20(27)17-12(2)16-18(22)24-15(25-19(16)31-17)11-30-21-23-8-9-26(21)13-6-5-7-14(10-13)28-3/h5-10H,4,11H2,1-3H3,(H2,22,24,25)