1-tert-butyl-3-(4-chlorophenyl)-2,4-dihydropyrazolo[3,4-d]pyrimidin-2-ium-4-amine

Systemtic Name: 1-tert-butyl-3-(4-chlorophenyl)-2,4-dihydropyrazolo[3,4-d]pyrimidin-2-ium-4-amine Openeye Name: 1-tert-butyl-3-(4-chlorophenyl)-2,4-dihydropyrazolo[3,4-d]pyrimidin-2-ium-4-amine CAS Name: 1-tert-butyl-3-(4-chlorophenyl)-2,4-dihydropyrazolo[3,4-d]pyrimidin-2-ium-4-amine IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)-2,4-dihydropyrazolo[3,4-d]pyrimidin-2-ium-4-amine Traditional Name: [1-tert-butyl-3-(4-chlorophenyl)-2,4-dihydropyrazolo[3,4-d]pyrimidin-2-ium-4-yl]amine Formula: C15H19ClN5+ MolecularWeight: 304.79786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC=NC(C2=C([NH2+]1)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)(C)N1C2=NC=NC(C2=C([NH2+]1)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H18ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8,13,20H,17H2,1-3H3/p+1