5-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-(2,4-dimethoxybenzyl)amine Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2=NC=NC=C2C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC2=NC=NC=C2C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H19N3O4/c1-24-15-5-3-14(18(8-15)25-2)9-22-20-16(10-21-11-23-20)13-4-6-17-19(7-13)27-12-26-17/h3-8,10-11H,9,12H2,1-2H3,(H,21,22,23)