4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-benzyl-4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-benzyl-4-(4-butyl-1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-benzyl-4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C27H32N6 MolecularWeight: 440.58318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N6/c1-2-3-15-31-16-10-17-32(19-18-31)26-24-21-28-33(23-13-8-5-9-14-23)27(24)30-25(29-26)20-22-11-6-4-7-12-22/h4-9,11-14,21H,2-3,10,15-20H2,1H3