5-(3-chlorophenyl)-N3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine

Systemtic Name: 5-(3-chlorophenyl)-N3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine Openeye Name: 5-(3-chlorophenyl)-N3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine CAS Name: 5-(3-chlorophenyl)-N3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine IUPAC Name: 5-(3-chlorophenyl)-3-N-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine Traditional Name: [4-amino-5-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-3-yl]-(3-methoxyphenyl)amine Formula: C18H15ClN6O MolecularWeight: 366.8043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C3C2=C(N(C=N3)C4=CC(=CC=C4)Cl)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C3C2=C(N(C=N3)C4=CC(=CC=C4)Cl)N

InChI

InChI=1S/C18H15ClN6O/c1-26-14-7-3-5-12(9-14)22-18-15-16(20)25(10-21-17(15)23-24-18)13-6-2-4-11(19)8-13/h2-10H,20H2,1H3,(H,22,24)