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

Systemtic Name: 4-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-isopentyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-isoamyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C24H34N6 MolecularWeight: 406.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CCC(C)C

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CCC(C)C

InChI

InChI=1S/C24H34N6/c1-4-9-22-26-23(29-14-8-13-28(16-17-29)15-12-19(2)3)21-18-25-30(24(21)27-22)20-10-6-5-7-11-20/h5-7,10-11,18-19H,4,8-9,12-17H2,1-3H3