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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-benzyl-pyrimidin-4-amine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-benzylpyrimidin-4-amine Traditional Name: [2-(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=NC=CC(=N3)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC=CC(=N3)NCC4=CC=CC=C4

InChI

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