ethyl (6S)-3-ethyl-6-[4-(ethylcarbamoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-6-[4-(ethylcarbamoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-6-[4-(ethylcarbamoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-6-[4-(ethylcarbamoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-6-[4-(ethylcarbamoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-6-[4-(ethylcarbamoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCC

Isomeric SMILES

CCNC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=S)N2)CC)C)C(=O)OCC

InChI

InChI=1S/C19H26N4O3S/c1-5-20-18(25)21-14-10-8-13(9-11-14)16-15(17(24)26-7-3)12(4)23(6-2)19(27)22-16/h8-11,16H,5-7H2,1-4H3,(H,22,27)(H2,20,21,25)/t16-/m0/s1