ethyl 6-[[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25ClN4O3S MolecularWeight: 448.9662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H25ClN4O3S/c1-2-29-20(27)15-11-23-21(28)24-16(15)12-25-7-9-26(10-8-25)13-18-19(22)14-5-3-4-6-17(14)30-18/h3-6H,2,7-13H2,1H3,(H2,23,24,28)