3-methyl-2-[4-(phenylmethyl)phthalazin-1-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: 3-methyl-2-[4-(phenylmethyl)phthalazin-1-yl]pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzylphthalazin-1-yl)-3-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: 3-methyl-2-[4-(phenylmethyl)-1-phthalazinyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylphthalazin-1-yl)-3-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-amino-2-(4-benzylphthalazin-1-yl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C21H18N8 MolecularWeight: 382.42122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)N)N

Isomeric SMILES

CC1=C2C(=NC(=NC2=NN1C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)N)N

InChI

InChI=1S/C21H18N8/c1-12-17-18(22)24-21(23)25-19(17)28-29(12)20-15-10-6-5-9-14(15)16(26-27-20)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H4,22,23,24,25,28)