1-[9-(phenylmethyl)purin-6-yl]-1,2,4-triazole-3,5-diamine

Systemtic Name: 1-[9-(phenylmethyl)purin-6-yl]-1,2,4-triazole-3,5-diamine Openeye Name: 1-(9-benzylpurin-6-yl)-1,2,4-triazole-3,5-diamine CAS Name: 1-[9-(phenylmethyl)-6-purinyl]-1,2,4-triazole-3,5-diamine IUPAC Name: 1-(9-benzylpurin-6-yl)-1,2,4-triazole-3,5-diamine Traditional Name: [5-amino-1-(9-benzylpurin-6-yl)-1,2,4-triazol-3-yl]amine Formula: C14H13N9 MolecularWeight: 307.31332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N4C(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N4C(=NC(=N4)N)N

InChI

InChI=1S/C14H13N9/c15-13-20-14(16)23(21-13)12-10-11(17-7-18-12)22(8-19-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H4,15,16,20,21)