4-(1,3-benzodioxol-5-yl)-6-(2,4-diethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(2,4-diethoxyphenyl)pyrimidin-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(2,4-diethoxyphenyl)pyrimidin-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(2,4-diethoxyphenyl)-2-pyrimidinamine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(2,4-diethoxyphenyl)pyrimidin-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-6-(2,4-diethoxyphenyl)pyrimidin-2-yl]amine Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC4=C(C=C3)OCO4)N)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC4=C(C=C3)OCO4)N)OCC

InChI

InChI=1S/C21H21N3O4/c1-3-25-14-6-7-15(19(10-14)26-4-2)17-11-16(23-21(22)24-17)13-5-8-18-20(9-13)28-12-27-18/h5-11H,3-4,12H2,1-2H3,(H2,22,23,24)