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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-phenyl-pyrimidin-4-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-phenyl-pyrimidin-4-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-phenyl-4-pyrimidinamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-phenylpyrimidin-4-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-phenyl-amine Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NC4=CC=CC=C4

InChI

InChI=1S/C17H13N3O2/c1-2-4-13(5-3-1)20-17-14(9-18-10-19-17)12-6-7-15-16(8-12)22-11-21-15/h1-10H,11H2,(H,18,19,20)