2,6-bis(5-azanyl-3-tert-butyl-pyrazol-1-yl)-1H-1,3,5-triazin-4-one dihydrochloride

Systemtic Name: 2,6-bis(5-azanyl-3-tert-butyl-pyrazol-1-yl)-1H-1,3,5-triazin-4-one dihydrochloride Openeye Name: 2,6-bis(5-amino-3-tert-butyl-pyrazol-1-yl)-1H-1,3,5-triazin-4-one dihydrochloride CAS Name: 2,6-bis(5-amino-3-tert-butyl-1-pyrazolyl)-1H-1,3,5-triazin-4-one dihydrochloride IUPAC Name: 2,6-bis(5-amino-3-tert-butylpyrazol-1-yl)-1H-1,3,5-triazin-4-one dihydrochloride Traditional Name: 2,6-bis(5-amino-3-tert-butyl-pyrazol-1-yl)-1H-s-triazin-4-one dihydrochloride Formula: C17H27Cl2N9O MolecularWeight: 444.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)N)C2=NC(=O)N=C(N2)N3C(=CC(=N3)C(C)(C)C)N.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)N)C2=NC(=O)N=C(N2)N3C(=CC(=N3)C(C)(C)C)N.Cl.Cl

InChI

InChI=1S/C17H25N9O.2ClH/c1-16(2,3)9-7-11(18)25(23-9)13-20-14(22-15(27)21-13)26-12(19)8-10(24-26)17(4,5)6;;/h7-8H,18-19H2,1-6H3,(H,20,21,22,27);2*1H