ethyl 4-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(2-amino-2-oxo-1-phenyl-ethyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[(2-amino-2-oxo-1-phenylethyl)amino]-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-2-oxo-1-phenylethyl)amino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(2-amino-2-keto-1-phenyl-ethyl)amino]-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NC(C4=CC=CC=C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NC(C4=CC=CC=C4)C(=O)N)C

InChI

InChI=1S/C25H24N4O3S2/c1-3-32-25(31)21-15(2)19-23(29-20(22(26)30)16-10-6-4-7-11-16)27-18(28-24(19)34-21)14-33-17-12-8-5-9-13-17/h4-13,20H,3,14H2,1-2H3,(H2,26,30)(H,27,28,29)