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

Systemtic Name: 1-[4-[3-[2-azanyl-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[3-[2-amino-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[3-[2-amino-4-(4-azepanyl)-5-pyrimidinyl]-1-pyrrolidinyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[3-[2-amino-4-(azepan-4-yl)pyrimidin-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[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)N1CCC(CC1)N2CCC(C2)C3=CN=C(N=C3C4CCCNCC4)N

Isomeric SMILES

CC(=O)N1CCC(CC1)N2CCC(C2)C3=CN=C(N=C3C4CCCNCC4)N

InChI

InChI=1S/C21H34N6O/c1-15(28)26-11-6-18(7-12-26)27-10-5-17(14-27)19-13-24-21(22)25-20(19)16-3-2-8-23-9-4-16/h13,16-18,23H,2-12,14H2,1H3,(H2,22,24,25)