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

Systemtic Name: methyl (6S)-6-[3-(butylcarbamoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-[3-(butylcarbamoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-[3-[[butylamino(oxo)methyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-[3-(butylcarbamoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-[3-(butylcarbamoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3S/c1-5-7-11-21-19(26)22-15-10-8-9-14(12-15)17-16(18(25)27-4)13(3)24(6-2)20(28)23-17/h8-10,12,17H,5-7,11H2,1-4H3,(H,23,28)(H2,21,22,26)/t17-/m0/s1