N-(3-chlorophenyl)-4-[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[3-methoxy-4-(2-morpholino-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(3-chlorophenyl)-4-[3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[4-(2-keto-2-morpholino-ethoxy)-3-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C25H27ClN4O5S MolecularWeight: 531.02368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)OC)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4O5S/c1-15-22(24(32)28-18-5-3-4-17(26)13-18)23(29-25(36)27-15)16-6-7-19(20(12-16)33-2)35-14-21(31)30-8-10-34-11-9-30/h3-7,12-13,23H,8-11,14H2,1-2H3,(H,28,32)(H2,27,29,36)