2-methoxyethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-6-[3-(1-oxopentylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6S)-3,4-dimethyl-6-[3-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-2-thioxo-6-[3-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)C)C)C(=O)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-5-6-10-17(25)22-16-9-7-8-15(13-16)19-18(20(26)28-12-11-27-4)14(2)24(3)21(29)23-19/h7-9,13,19H,5-6,10-12H2,1-4H3,(H,22,25)(H,23,29)/t19-/m0/s1