1-[3-[3-[2-azanyl-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[3-[3-[2-azanyl-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[3-[3-[2-amino-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]-1-piperidyl]ethanone CAS Name: 1-[3-[3-[2-amino-4-(4-azepanyl)-5-pyrimidinyl]-1-pyrrolidinyl]-1-piperidinyl]ethanone IUPAC Name: 1-[3-[3-[2-amino-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[3-[3-[2-amino-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidino]piperidino]ethanone Formula: C21H34N6O MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)N2CCC(C2)C3=CN=C(N=C3C4CCCNCC4)N

Isomeric SMILES

CC(=O)N1CCCC(C1)N2CCC(C2)C3=CN=C(N=C3C4CCCNCC4)N

InChI

InChI=1S/C21H34N6O/c1-15(28)26-10-3-5-18(14-26)27-11-7-17(13-27)19-12-24-21(22)25-20(19)16-4-2-8-23-9-6-16/h12,16-18,23H,2-11,13-14H2,1H3,(H2,22,24,25)