O1-ethyl O4-(7H-purin-6-ylsulfanylmethyl) (2S)-2-azanylbutanedioate

Systemtic Name: O1-ethyl O4-(7H-purin-6-ylsulfanylmethyl) (2S)-2-azanylbutanedioate Openeye Name: O1-ethyl O4-(7H-purin-6-ylsulfanylmethyl) (2S)-2-aminobutanedioate CAS Name: (2S)-2-aminobutanedioic acid O1-ethyl ester O4-[(7H-purin-6-ylthio)methyl] ester IUPAC Name: 1-O-ethyl 4-O-(7H-purin-6-ylsulfanylmethyl) (2S)-2-aminobutanedioate Traditional Name: (2S)-2-aminosuccinic acid O1-ethyl ester O4-[(7H-purin-6-ylthio)methyl] ester Formula: C12H15N5O4S MolecularWeight: 325.3436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)OCSC1=NC=NC2=C1NC=N2)N

Isomeric SMILES

CCOC(=O)[C@H](CC(=O)OCSC1=NC=NC2=C1NC=N2)N

InChI

InChI=1S/C12H15N5O4S/c1-2-20-12(19)7(13)3-8(18)21-6-22-11-9-10(15-4-14-9)16-5-17-11/h4-5,7H,2-3,6,13H2,1H3,(H,14,15,16,17)/t7-/m0/s1