methyl 2-methyl-4-oxidanylidene-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepine-3-carboxylate

Systemtic Name: methyl 2-methyl-4-oxidanylidene-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepine-3-carboxylate Openeye Name: methyl 2-methyl-4-oxo-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepine-3-carboxylate CAS Name: 2-methyl-4-oxo-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydro-6H-thieno[3,2-c]azepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-oxo-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydro-6H-thieno[3,2-c]azepine-3-carboxylate Traditional Name: 4-keto-2-methyl-5-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydro-6H-thien[3,2-c]azepine-3-carboxylic acid methyl ester Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(S1)CCCN(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C(=O)OC

InChI

InChI=1S/C23H31N5O3S/c1-17-19(22(30)31-2)20-18(32-17)7-5-12-27(21(20)29)11-4-3-10-26-13-15-28(16-14-26)23-24-8-6-9-25-23/h6,8-9H,3-5,7,10-16H2,1-2H3