4-azanyl-6-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-6-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-6-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrimidine-5-carbonitrile Formula: C19H14N4O3 MolecularWeight: 346.33946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O3/c1-24-13-5-2-11(3-6-13)19-22-17(14(9-20)18(21)23-19)12-4-7-15-16(8-12)26-10-25-15/h2-8H,10H2,1H3,(H2,21,22,23)