N-(1,3-benzodioxol-5-ylmethyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-pyrimidine-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide Traditional Name: 6-keto-N-piperonyl-2-[4-(2-pyrimidyl)piperazino]-1H-pyrimidine-5-carboxamide Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC=CC=N5

InChI

InChI=1S/C21H21N7O4/c29-18(24-11-14-2-3-16-17(10-14)32-13-31-16)15-12-25-21(26-19(15)30)28-8-6-27(7-9-28)20-22-4-1-5-23-20/h1-5,10,12H,6-9,11,13H2,(H,24,29)(H,25,26,30)