N-(1,3-benzodioxol-5-ylmethyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: (6-phenylthieno[2,3-d]pyrimidin-4-yl)-piperonyl-amine Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C20H15N3O2S/c1-2-4-14(5-3-1)18-9-15-19(22-11-23-20(15)26-18)21-10-13-6-7-16-17(8-13)25-12-24-16/h1-9,11H,10,12H2,(H,21,22,23)