1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-3-yl-pyrrolidin-2-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-3-yl-pyrrolidin-2-yl]-2-phenylmethoxy-ethanone Openeye Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(3-piperidyl)pyrrolidin-2-yl]-2-benzyloxy-ethanone CAS Name: 1-[3-(2-amino-4-pyrimidinyl)-1-(3-piperidinyl)-2-pyrrolidinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[3-(2-aminopyrimidin-4-yl)-1-piperidin-3-ylpyrrolidin-2-yl]-2-phenylmethoxyethanone Traditional Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(3-piperidyl)pyrrolidin-2-yl]-2-benzoxy-ethanone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2CCC(C2C(=O)COCC3=CC=CC=C3)C4=NC(=NC=C4)N

Isomeric SMILES

C1CC(CNC1)N2CCC(C2C(=O)COCC3=CC=CC=C3)C4=NC(=NC=C4)N

InChI

InChI=1S/C22H29N5O2/c23-22-25-11-8-19(26-22)18-9-12-27(17-7-4-10-24-13-17)21(18)20(28)15-29-14-16-5-2-1-3-6-16/h1-3,5-6,8,11,17-18,21,24H,4,7,9-10,12-15H2,(H2,23,25,26)