2,6-bis(1,3-benzodioxol-5-yl)pyrimidin-4-amine

Systemtic Name: 2,6-bis(1,3-benzodioxol-5-yl)pyrimidin-4-amine Openeye Name: 2,6-bis(1,3-benzodioxol-5-yl)pyrimidin-4-amine CAS Name: 2,6-bis(1,3-benzodioxol-5-yl)-4-pyrimidinamine IUPAC Name: 2,6-bis(1,3-benzodioxol-5-yl)pyrimidin-4-amine Traditional Name: [2,6-bis(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amine Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)C4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)C4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C18H13N3O4/c19-17-7-12(10-1-3-13-15(5-10)24-8-22-13)20-18(21-17)11-2-4-14-16(6-11)25-9-23-14/h1-7H,8-9H2,(H2,19,20,21)