N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenyl-4-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: [4-(1-phenylpyrazol-4-yl)pyrimidin-2-yl]-piperonyl-amine Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=CC(=N3)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=CC(=N3)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N5O2/c1-2-4-17(5-3-1)26-13-16(12-24-26)18-8-9-22-21(25-18)23-11-15-6-7-19-20(10-15)28-14-27-19/h1-10,12-13H,11,14H2,(H,22,23,25)