3-chloranyl-7-[(3-cyanophenyl)amino]-5-(phenethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Systemtic Name: 3-chloranyl-7-[(3-cyanophenyl)amino]-5-(phenethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Openeye Name: 3-chloro-7-(3-cyanoanilino)-5-(phenethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile CAS Name: 3-chloro-7-(3-cyanoanilino)-5-(phenethylamino)-6-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 3-chloro-7-(3-cyanoanilino)-5-(phenethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Traditional Name: 3-chloro-7-(3-cyanoanilino)-5-(phenethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile Formula: C22H16ClN7 MolecularWeight: 413.86234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC3=C(C=NN3C(=C2C#N)NC4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC3=C(C=NN3C(=C2C#N)NC4=CC=CC(=C4)C#N)Cl

InChI

InChI=1S/C22H16ClN7/c23-19-14-27-30-21(28-17-8-4-7-16(11-17)12-24)18(13-25)20(29-22(19)30)26-10-9-15-5-2-1-3-6-15/h1-8,11,14,28H,9-10H2,(H,26,29)