methyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[2-(1-azepanyl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethoxy]-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCCCCC3)OC)C(=O)OC

InChI

InChI=1S/C22H29N3O5S/c1-14-19(21(27)29-3)20(24-22(31)23-14)15-8-9-16(17(12-15)28-2)30-13-18(26)25-10-6-4-5-7-11-25/h8-9,12,20H,4-7,10-11,13H2,1-3H3,(H2,23,24,31)