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

Systemtic Name: 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine Openeye Name: 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine CAS Name: 4-[2-(4-methyl-1-piperazinyl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine IUPAC Name: 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine Traditional Name: [4-[2-(4-methylpiperazino)ethyl]-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:

CN1CCN(CC1)CCC2=NC(=NC(=C2)C3=CNC4=C3C=CC=N4)N

Isomeric SMILES

CN1CCN(CC1)CCC2=NC(=NC(=C2)C3=CNC4=C3C=CC=N4)N

InChI

InChI=1S/C18H23N7/c1-24-7-9-25(10-8-24)6-4-13-11-16(23-18(19)22-13)15-12-21-17-14(15)3-2-5-20-17/h2-3,5,11-12H,4,6-10H2,1H3,(H,20,21)(H2,19,22,23)