ethyl 6-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H22N6O3S MolecularWeight: 354.42788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2N)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2N)C(C)(C)C

InChI

InChI=1S/C14H22N6O3S/c1-5-23-10(21)8-6-16-12(22)17-9(8)7-24-13-19-18-11(20(13)15)14(2,3)4/h5-7,15H2,1-4H3,(H2,16,17,22)