methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenyl-acetate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]-2-phenylacetate Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butanoylamino]-2-phenyl-acetic acid methyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C17H20N4O4S/c1-3-11(26-17-19-12(18)9-13(22)20-17)15(23)21-14(16(24)25-2)10-7-5-4-6-8-10/h4-9,11,14H,3H2,1-2H3,(H,21,23)(H3,18,19,20,22)