methyl (2S)-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H19N5O3S/c1-24-15(23)11(7-10-5-3-2-4-6-10)19-14(22)9-25-16-20-12(17)8-13(18)21-16/h2-6,8,11H,7,9H2,1H3,(H,19,22)(H4,17,18,20,21)/t11-/m0/s1