N4-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzene-1,4-diamine

Systemtic Name: N4-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzene-1,4-diamine Openeye Name: N4-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzene-1,4-diamine CAS Name: N4-[1-(4-methoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]benzene-1,4-diamine IUPAC Name: 4-N-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzene-1,4-diamine Traditional Name: (4-aminophenyl)-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C18H16N6O MolecularWeight: 332.35924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NC(=NC=C3C=N2)NC4=CC=C(C=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NC(=NC=C3C=N2)NC4=CC=C(C=C4)N

InChI

InChI=1S/C18H16N6O/c1-25-16-8-6-15(7-9-16)24-17-12(11-21-24)10-20-18(23-17)22-14-4-2-13(19)3-5-14/h2-11H,19H2,1H3,(H,20,22,23)