3-pyridin-3-ylpropyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(3-pyridyl)propyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CN=CC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCCCC2=CN=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-10-12(9-16-14(20)17-10)13(18)19-7-3-5-11-4-2-6-15-8-11/h2,4,6,8H,3,5,7,9H2,1H3,(H2,16,17,20)