2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[5-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[5-[(2-amino-7H-purin-6-yl)thio]-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[5-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoylamino]-3-methylbutanoic acid Traditional Name: 2-[5-[(2-amino-7H-purin-6-yl)thio]pentanoylamino]-3-methyl-butyric acid Formula: C15H22N6O3S MolecularWeight: 366.43858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCCCSC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCCCSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C15H22N6O3S/c1-8(2)10(14(23)24)19-9(22)5-3-4-6-25-13-11-12(18-7-17-11)20-15(16)21-13/h7-8,10H,3-6H2,1-2H3,(H,19,22)(H,23,24)(H3,16,17,18,20,21)