4-(1,3-benzothiazol-2-ylsulfanyl)butyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 4-(1,3-benzothiazol-2-ylthio)butyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)butyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 4-(1,3-benzothiazol-2-ylthio)butyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H21N3O3S3/c1-11-15(13(10-22)20-17(25)19-11)16(23)24-8-4-5-9-26-18-21-12-6-2-3-7-14(12)27-18/h2-3,6-7,13,22H,4-5,8-10H2,1H3,(H2,19,20,25)