N-butyl-1-(3,4-dichlorophenyl)-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-butyl-1-(3,4-dichlorophenyl)-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-N-butyl-1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(3,4-dichlorophenyl)-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-N-butyl-1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-butyl-[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H21Cl2N5 MolecularWeight: 426.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N5/c1-2-3-11-28(14-16-7-5-4-6-8-16)21-18-13-27-29(22(18)26-15-25-21)17-9-10-19(23)20(24)12-17/h4-10,12-13,15H,2-3,11,14H2,1H3