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

Systemtic Name: 1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-6-propyl-4-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-phenyl-6-propyl-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-6-propyl-4-[4-(2-thenyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine Formula: C24H28N6S MolecularWeight: 432.58432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CS5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C24H28N6S/c1-2-8-22-26-23(21-17-25-30(24(21)27-22)19-9-4-3-5-10-19)29-13-7-12-28(14-15-29)18-20-11-6-16-31-20/h3-6,9-11,16-17H,2,7-8,12-15,18H2,1H3