N1-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]naphthalene-1,8-diamine

Systemtic Name: N1-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]naphthalene-1,8-diamine Openeye Name: N1-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)naphthalene-1,8-diamine CAS Name: N1-[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]naphthalene-1,8-diamine IUPAC Name: 1-N-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)naphthalene-1,8-diamine Traditional Name: (8-amino-1-naphthyl)-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C22H18N6 MolecularWeight: 366.41852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=CC5=C4C(=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)NC4=CC=CC5=C4C(=CC=C5)N

InChI

InChI=1S/C22H18N6/c23-18-10-4-8-16-9-5-11-19(20(16)18)27-21-17-12-26-28(22(17)25-14-24-21)13-15-6-2-1-3-7-15/h1-12,14H,13,23H2,(H,24,25,27)