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

Systemtic Name: 1-[3-(2-azanylpyrimidin-4-yl)-1-piperidin-4-yl-pyrrolidin-2-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(4-piperidyl)pyrrolidin-2-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[3-(2-amino-4-pyrimidinyl)-1-(4-piperidinyl)-2-pyrrolidinyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[3-(2-aminopyrimidin-4-yl)-1-piperidin-4-ylpyrrolidin-2-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[3-(2-aminopyrimidin-4-yl)-1-(4-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(CCN2C3CCNCC3)C4=NC(=NC=C4)N

Isomeric SMILES

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

InChI

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