ethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxo-1H-pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-(4-piperonylpiperazino)-1H-pyrimidin-6-yl]acetic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CC1=CC(=O)N=C(N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O5/c1-2-27-19(26)11-15-10-18(25)22-20(21-15)24-7-5-23(6-8-24)12-14-3-4-16-17(9-14)29-13-28-16/h3-4,9-10H,2,5-8,11-13H2,1H3,(H,21,22,25)