4-(3-piperazin-1-ylpropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Systemtic Name: 4-(3-piperazin-1-ylpropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine Openeye Name: 4-(3-piperazin-1-ylpropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine CAS Name: 4-[3-(1-piperazinyl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine IUPAC Name: 4-(3-piperazin-1-ylpropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine Traditional Name: [4-(3-piperazinopropyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amine Formula: C18H23N7 MolecularWeight: 337.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCC2=NC(=NC(=C2)C3=CNC4=C3C=CC=N4)N

Isomeric SMILES

C1CN(CCN1)CCCC2=NC(=NC(=C2)C3=CNC4=C3C=CC=N4)N

InChI

InChI=1S/C18H23N7/c19-18-23-13(3-2-8-25-9-6-20-7-10-25)11-16(24-18)15-12-22-17-14(15)4-1-5-21-17/h1,4-5,11-12,20H,2-3,6-10H2,(H,21,22)(H2,19,23,24)