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

Systemtic Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C23H32N6 MolecularWeight: 392.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6/c1-3-5-13-27-14-9-15-28(17-16-27)22-20-18-24-29(19-11-7-6-8-12-19)23(20)26-21(25-22)10-4-2/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3