ethyl 4-[2-[(2-azanyl-7H-purin-6-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(2-azanyl-7H-purin-6-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(2-amino-7H-purin-6-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2-amino-7H-purin-6-yl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-amino-7H-purin-6-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2-amino-7H-purin-6-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C13H18N6O3S MolecularWeight: 338.38542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C13H18N6O3S/c1-2-22-9(21)4-3-5-15-8(20)6-23-12-10-11(17-7-16-10)18-13(14)19-12/h7H,2-6H2,1H3,(H,15,20)(H3,14,16,17,18,19)