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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-benzyl-pyrimidin-4-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-benzylpyrimidin-4-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-benzyl-amine Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN=CN=C3NCC4=CC=CC=C4

InChI

InChI=1S/C18H15N3O2/c1-2-4-13(5-3-1)9-20-18-15(10-19-11-21-18)14-6-7-16-17(8-14)23-12-22-16/h1-8,10-11H,9,12H2,(H,19,20,21)