ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]nipecotic acid ethyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C25H28N4O3S/c1-3-32-25(31)19-9-6-11-29(14-19)24(30)21-16(2)20-22(26-15-27-23(20)33-21)28-12-10-17-7-4-5-8-18(17)13-28/h4-5,7-8,15,19H,3,6,9-14H2,1-2H3