methyl (2S)-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H17N5O3S/c1-23-14(22)13(9-5-3-2-4-6-9)20-12(21)8-24-15-18-10(16)7-11(17)19-15/h2-7,13H,8H2,1H3,(H,20,21)(H4,16,17,18,19)/t13-/m0/s1