2-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]butanethioic S-acid

Systemtic Name: 2-[6-azanyl-8-oxidanylidene-9-(phenylmethyl)-7H-purin-2-yl]butanethioic S-acid Openeye Name: 2-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)butanethioic S-acid CAS Name: 2-[6-amino-8-oxo-9-(phenylmethyl)-7H-purin-2-yl]butanethioic S-acid IUPAC Name: 2-(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)butanethioic S-acid Traditional Name: 2-(6-amino-9-benzyl-8-keto-7H-purin-2-yl)thiobutyric acid Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3)C(=O)S

Isomeric SMILES

CCC(C1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C16H17N5O2S/c1-2-10(15(22)24)13-19-12(17)11-14(20-13)21(16(23)18-11)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,18,23)(H,22,24)(H2,17,19,20)