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

Systemtic Name: ethyl 6-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(4-mesyl-1,4-diazepan-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H24N4O5S MolecularWeight: 360.42916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H24N4O5S/c1-3-23-13(19)11-9-15-14(20)16-12(11)10-17-5-4-6-18(8-7-17)24(2,21)22/h3-10H2,1-2H3,(H2,15,16,20)