ethyl (4S)-6-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC(=CC(=N2)N)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC(=CC(=N2)N)C)C(=O)OCC

InChI

InChI=1S/C15H21N5O3S/c1-4-9-12(13(21)23-5-2)10(19-14(22)18-9)7-24-15-17-8(3)6-11(16)20-15/h6,9H,4-5,7H2,1-3H3,(H2,16,17,20)(H2,18,19,22)/t9-/m0/s1