ethyl 4-azanyl-2-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C22H21N5O3S2/c1-4-30-21(29)14-9-24-22(27-18(14)23)31-10-15-25-19(28)17-16(12(3)32-20(17)26-15)13-7-5-11(2)6-8-13/h5-9H,4,10H2,1-3H3,(H2,23,24,27)(H,25,26,28)