2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; (Z)-but-2-enedioic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; (Z)-but-2-enedioic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; maleic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine; (Z)-2-butenedioic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; (Z)-but-2-enedioic acid Traditional Name: maleic acid; 2-(4-piperonylpiperazino)pyrimidine Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18N4O2.C4H4O4/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;5-3(6)1-2-4(7)8/h1-5,10H,6-9,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-