2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-methoxyphenyl)-2-(piperonylamino)-1H-pyrimidine-5-carbonitrile Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C20H16N4O4/c1-26-14-5-3-13(4-6-14)18-15(9-21)19(25)24-20(23-18)22-10-12-2-7-16-17(8-12)28-11-27-16/h2-8H,10-11H2,1H3,(H2,22,23,24,25)