ethyl 6-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O5S2/c1-2-28-18(24)15-12-21-19(25)22-16(15)13-29-17-8-7-14(11-20-17)30(26,27)23-9-5-3-4-6-10-23/h7-8,11H,2-6,9-10,12-13H2,1H3,(H2,21,22,25)