1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one

Systemtic Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-one Formula: C24H32N6O MolecularWeight: 420.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

InChI

InChI=1S/C24H32N6O/c1-3-5-13-22(31)28-14-9-15-29(17-16-28)23-20-18-25-30(19-11-7-6-8-12-19)24(20)27-21(26-23)10-4-2/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3