ethyl 4-[(5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-methyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 4-[[[5-methyl-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 4-[(5-methyl-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCC4)C

InChI

InChI=1S/C21H22N4O3S/c1-3-28-21(27)14-6-8-15(9-7-14)24-19(26)17-13(2)16-18(25-10-4-5-11-25)22-12-23-20(16)29-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,24,26)