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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[[1-(m-tolyl)imidazol-2-yl]thio]methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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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)C)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S2/c1-4-28-20(27)17-13(3)16-18(22)24-15(25-19(16)30-17)11-29-21-23-8-9-26(21)14-7-5-6-12(2)10-14/h5-10H,4,11H2,1-3H3,(H2,22,24,25)