(2R)-2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: (2R)-2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: (2R)-2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate CAS Name: (2R)-2-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]hexanoate IUPAC Name: (2R)-2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]hexanoate Traditional Name: (2R)-2-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]hexanoate Formula: C18H21N4O4S- MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22N4O4S/c1-3-4-5-12(17(25)26)27-18-21-14(19)13(16(24)22-18)20-15(23)11-8-6-10(2)7-9-11/h6-9,12H,3-5H2,1-2H3,(H,20,23)(H,25,26)(H3,19,21,22,24)/p-1/t12-/m1/s1