ethyl 6-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[5-(1-azepanylsulfonyl)-2-methoxyanilino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O6S MolecularWeight: 480.57768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H32N4O6S/c1-4-32-21(27)20-15(2)24-22(28)25-18(20)14-23-17-13-16(9-10-19(17)31-3)33(29,30)26-11-7-5-6-8-12-26/h9-10,13,15,23H,4-8,11-12,14H2,1-3H3,(H2,24,25,28)