3-[6-azanyl-9-(phenylmethyl)purin-2-yl]propanethioic S-acid

Systemtic Name: 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]propanethioic S-acid Openeye Name: 3-(6-amino-9-benzyl-purin-2-yl)propanethioic S-acid CAS Name: 3-[6-amino-9-(phenylmethyl)-2-purinyl]propanethioic S-acid IUPAC Name: 3-(6-amino-9-benzylpurin-2-yl)propanethioic S-acid Traditional Name: 3-(6-amino-9-benzyl-purin-2-yl)thiopropionic acid Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)CCC(=O)S

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)CCC(=O)S

InChI

InChI=1S/C15H15N5OS/c16-14-13-15(19-11(18-14)6-7-12(21)22)20(9-17-13)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,21,22)(H2,16,18,19)