1-[4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one

Systemtic Name: 1-[4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one Openeye Name: 1-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-1-piperidyl]-3-(dimethylamino)propan-1-one CAS Name: 1-[4-[[4-amino-5-[(2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinyl]-3-(dimethylamino)-1-propanone IUPAC Name: 1-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-(dimethylamino)propan-1-one Traditional Name: 1-[4-[(4-amino-5-o-anisoyl-pyrimidin-2-yl)amino]piperidino]-3-(dimethylamino)propan-1-one Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN(C)CCC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H30N6O3/c1-27(2)11-10-19(29)28-12-8-15(9-13-28)25-22-24-14-17(21(23)26-22)20(30)16-6-4-5-7-18(16)31-3/h4-7,14-15H,8-13H2,1-3H3,(H3,23,24,25,26)