5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine Openeye Name: 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine CAS Name: 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine IUPAC Name: 5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrimidin-4-yl]amine Formula: C12H11N7 MolecularWeight: 253.26264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=N2)C3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=N2)C3=CN=C(N=C3N)N

InChI

InChI=1S/C12H11N7/c13-9-8(6-15-12(14)16-9)11-17-10(18-19-11)7-4-2-1-3-5-7/h1-6H,(H,17,18,19)(H4,13,14,15,16)