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

Systemtic Name: ethyl 3-[(2,5-dimethyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2,5-dimethyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate CAS Name: 3-[[[2,5-dimethyl-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 3-[(2,5-dimethyl-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-4-29-22(28)15-8-7-9-16(12-15)25-20(27)18-13(2)17-19(26-10-5-6-11-26)23-14(3)24-21(17)30-18/h7-9,12H,4-6,10-11H2,1-3H3,(H,25,27)