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

Systemtic Name: 1-[4-[[4-azanyl-5-(2-methoxyphenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-1-piperidyl]butan-1-one CAS Name: 1-[4-[[4-amino-5-[(2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-[(4-amino-5-o-anisoyl-pyrimidin-2-yl)amino]piperidino]butan-1-one Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-3-6-18(27)26-11-9-14(10-12-26)24-21-23-13-16(20(22)25-21)19(28)15-7-4-5-8-17(15)29-2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H3,22,23,24,25)