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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)C2C(CCN2C3CCNCC3)C4=NC(=NC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)C2C(CCN2C3CCNCC3)C4=NC(=NC=C4)N

InChI

InChI=1S/C22H29N5O2/c1-29-17-4-2-3-15(13-17)14-20(28)21-18(19-7-11-25-22(23)26-19)8-12-27(21)16-5-9-24-10-6-16/h2-4,7,11,13,16,18,21,24H,5-6,8-10,12,14H2,1H3,(H2,23,25,26)