ethyl 5-azanyl-2-methylsulfanyl-4-(3-octoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(3-octoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-methylsulfanyl-4-(3-octoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(3-octoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(3-octoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-(3-octoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H31N3O3S2 MolecularWeight: 473.65124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)OCC)N

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)C2=C3C(=C(SC3=NC(=N2)SC)C(=O)OCC)N

InChI

InChI=1S/C24H31N3O3S2/c1-4-6-7-8-9-10-14-30-17-13-11-12-16(15-17)20-18-19(25)21(23(28)29-5-2)32-22(18)27-24(26-20)31-3/h11-13,15H,4-10,14,25H2,1-3H3