methyl (2S)-2-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylacetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C18H20N4O4S/c1-3-9-22-13(19)10-14(23)21-18(22)27-11-15(24)20-16(17(25)26-2)12-7-5-4-6-8-12/h3-8,10,16H,1,9,11,19H2,2H3,(H,20,24)/t16-/m0/s1