4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-(4-piperonyloylpiperazino)pyrimidine-5-carbonitrile Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N5O5/c1-21-16(13(10-20)18(26)22(2)19(21)27)23-5-7-24(8-6-23)17(25)12-3-4-14-15(9-12)29-11-28-14/h3-4,9H,5-8,11H2,1-2H3