N-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(4-methoxyphenyl)pyrimidin-4-yl]amine Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15N3O3/c1-22-14-5-2-12(3-6-14)15-9-18(20-10-19-15)21-13-4-7-16-17(8-13)24-11-23-16/h2-10H,11H2,1H3,(H,19,20,21)