(2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[9-(4-methoxyphenyl)-6-purinyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-4-(methylthio)butyric acid Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3NC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2N=CN=C3N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C17H19N5O3S/c1-25-12-5-3-11(4-6-12)22-10-20-14-15(18-9-19-16(14)22)21-13(17(23)24)7-8-26-2/h3-6,9-10,13H,7-8H2,1-2H3,(H,23,24)(H,18,19,21)/t13-/m0/s1