N'-[6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]heptane-1,7-diamine

Systemtic Name: N'-[6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]heptane-1,7-diamine Openeye Name: N'-[6-(1-phenyl-4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]heptane-1,7-diamine CAS Name: N'-[6-(1-phenyl-4-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]heptane-1,7-diamine IUPAC Name: N'-[6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]heptane-1,7-diamine Traditional Name: 7-aminoheptyl-[6-(1-phenyl-4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amine Formula: C24H34N6 MolecularWeight: 406.56696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=NC(=NC=C3N2)NCCCCCCCN)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=CC3=NC(=NC=C3N2)NCCCCCCCN)C4=CC=CC=C4

InChI

InChI=1S/C24H34N6/c25-13-7-2-1-3-8-14-26-24-27-18-23-22(29-24)17-21(28-23)19-11-15-30(16-12-19)20-9-5-4-6-10-20/h4-6,9-10,17-19,28H,1-3,7-8,11-16,25H2,(H,26,27,29)