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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCC(C2C(=O)COCC3=CC=CC=C3)C4=NC(=NC=C4)N

Isomeric SMILES

C1CNCCC1N2CCC(C2C(=O)COCC3=CC=CC=C3)C4=NC(=NC=C4)N

InChI

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