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

Systemtic Name: methyl 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5/c1-26-18(25)10-14-9-17(24)21-19(20-14)23-6-4-22(5-7-23)11-13-2-3-15-16(8-13)28-12-27-15/h2-3,8-9H,4-7,10-12H2,1H3,(H,20,21,24)