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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-29-17-6-4-15(5-7-17)13-20(28)21-18(19-8-11-25-22(23)26-19)9-12-27(21)16-3-2-10-24-14-16/h4-8,11,16,18,21,24H,2-3,9-10,12-14H2,1H3,(H2,23,25,26)