2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-tert-butyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-tert-butyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-tert-butyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-tert-butyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-tert-butyl-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-(4-piperonylpiperazino)-1H-pyrimidin-4-one Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)17-11-18(25)22-19(21-17)24-8-6-23(7-9-24)12-14-4-5-15-16(10-14)27-13-26-15/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,21,22,25)