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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

InChI

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