N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-4-(1H-pyrrol-2-yl)pyrimidin-2-amine

Systemtic Name: N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-4-(1H-pyrrol-2-yl)pyrimidin-2-amine Openeye Name: N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-4-(1H-pyrrol-2-yl)pyrimidin-2-amine CAS Name: N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-4-(1H-pyrrol-2-yl)-2-pyrimidinamine IUPAC Name: N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-4-(1H-pyrrol-2-yl)pyrimidin-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yloxy)phenyl]-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]amine Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC=CN5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC3=CC=C(C=C3)NC4=NC=CC(=N4)C5=CC=CN5

InChI

InChI=1S/C21H16N4O3/c1-2-17(22-10-1)18-9-11-23-21(25-18)24-14-3-5-15(6-4-14)28-16-7-8-19-20(12-16)27-13-26-19/h1-12,22H,13H2,(H,23,24,25)