2-ethyl-1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[4-methyl-6-(p-anisidino)pyrimidin-2-yl]piperazino]butan-1-one Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H31N5O2/c1-5-17(6-2)21(28)26-11-13-27(14-12-26)22-23-16(3)15-20(25-22)24-18-7-9-19(29-4)10-8-18/h7-10,15,17H,5-6,11-14H2,1-4H3,(H,23,24,25)