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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]methanone Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3/c1-3-22-21(15-19-7-5-4-6-8-19)25(28-18(2)27-22)29-11-13-30(14-12-29)26(31)20-9-10-23-24(16-20)33-17-32-23/h4-10,16H,3,11-15,17H2,1-2H3