1,3-benzodioxol-5-yl-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N5O3/c1-16-3-6-19(7-4-16)26-22-13-17(2)25-24(27-22)29-11-9-28(10-12-29)23(30)18-5-8-20-21(14-18)32-15-31-20/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,26,27)