1-phenyl-6-propyl-4-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-6-propyl-4-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-6-propyl-4-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-6-propyl-4-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-6-propyl-4-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-6-propyl-4-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Formula: C25H29N7 MolecularWeight: 427.54466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC=N5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CC=N5

InChI

InChI=1S/C25H29N7/c1-2-9-23-28-24(22-18-27-32(25(22)29-23)21-11-4-3-5-12-21)31-15-8-14-30(16-17-31)19-20-10-6-7-13-26-20/h3-7,10-13,18H,2,8-9,14-17,19H2,1H3