N-(3-chloranyl-4-methoxy-phenyl)-5-(4-fluorophenyl)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-7-amine

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-5-(4-fluorophenyl)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-7-amine Openeye Name: N-(3-chloro-4-methoxy-phenyl)-5-(4-fluorophenyl)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-7-amine CAS Name: N-(3-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-1-methyl-3-propyl-7-pyrazolo[4,3-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-7-amine Traditional Name: (3-chloro-4-methoxy-phenyl)-[5-(4-fluorophenyl)-1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-7-yl]amine Formula: C22H21ClFN5O MolecularWeight: 425.886443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1N=C(N=C2NC3=CC(=C(C=C3)OC)Cl)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCCC1=NN(C2=C1N=C(N=C2NC3=CC(=C(C=C3)OC)Cl)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H21ClFN5O/c1-4-5-17-19-20(29(2)28-17)22(25-15-10-11-18(30-3)16(23)12-15)27-21(26-19)13-6-8-14(24)9-7-13/h6-12H,4-5H2,1-3H3,(H,25,26,27)