N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyrimidin-5-ylphenyl)methanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyrimidin-5-ylphenyl)methanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyrimidin-5-ylphenyl)methanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(5-pyrimidinyl)phenyl]methanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyrimidin-5-ylphenyl)methanamine Traditional Name: piperonyl-[3-(5-pyrimidyl)benzyl]amine Formula: C19H17N3O2 MolecularWeight: 319.35718

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C19H17N3O2/c1-2-14(6-16(3-1)17-10-21-12-22-11-17)8-20-9-15-4-5-18-19(7-15)24-13-23-18/h1-7,10-12,20H,8-9,13H2