ethyl 4-[2-bromanyl-5-methoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-bromanyl-5-methoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-bromo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxo-ethoxy]phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-bromo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-bromo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-bromo-4-[2-keto-2-(o-anisidino)ethoxy]-5-methoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H30BrN3O6S MolecularWeight: 592.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Br)OCC(=O)NC3=CC=CC=C3OC)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Br)OCC(=O)NC3=CC=CC=C3OC)OC)C(=O)OCC

InChI

InChI=1S/C26H30BrN3O6S/c1-5-9-18-23(25(32)35-6-2)24(30-26(37)29-18)15-12-20(34-4)21(13-16(15)27)36-14-22(31)28-17-10-7-8-11-19(17)33-3/h7-8,10-13,24H,5-6,9,14H2,1-4H3,(H,28,31)(H2,29,30,37)