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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C21H18N4O4 MolecularWeight: 390.39202

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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)OCCO4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NCC3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C21H18N4O4/c1-27-15-5-3-14(4-6-15)19-16(11-22)20(26)25-21(24-19)23-12-13-2-7-17-18(10-13)29-9-8-28-17/h2-7,10H,8-9,12H2,1H3,(H2,23,24,25,26)