ethyl 2,5-dimethyl-4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[[5-(1-piperidylsulfonyl)-2-thienyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[(5-piperidinosulfonyl-2-thienyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H26N4O4S3 MolecularWeight: 494.65054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(S3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(S3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H26N4O4S3/c1-4-29-21(26)18-13(2)17-19(23-14(3)24-20(17)31-18)22-12-15-8-9-16(30-15)32(27,28)25-10-6-5-7-11-25/h8-9H,4-7,10-12H2,1-3H3,(H,22,23,24)