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

Systemtic Name: (2R)-2-[[6-azanyl-5-[(4-methoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: (2R)-2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[6-amino-5-[[(4-methoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]butanoate IUPAC Name: (2R)-2-[[6-amino-5-[(4-methoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[6-amino-4-keto-5-(p-anisoylamino)-1H-pyrimidin-2-yl]thio]butyrate Formula: C16H17N4O5S- MolecularWeight: 377.39498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c1-3-10(15(23)24)26-16-19-12(17)11(14(22)20-16)18-13(21)8-4-6-9(25-2)7-5-8/h4-7,10H,3H2,1-2H3,(H,18,21)(H,23,24)(H3,17,19,20,22)/p-1/t10-/m1/s1