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

Systemtic Name: 1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[4-methyl-6-(p-anisidino)pyrimidin-2-yl]piperazino]pentan-1-one Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-4-5-6-20(27)25-11-13-26(14-12-25)21-22-16(2)15-19(24-21)23-17-7-9-18(28-3)10-8-17/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,23,24)