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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(5-phenylthieno[2,3-d]pyrimidin-4-yl)amine Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O2S/c1-2-6-14(7-3-1)16-12-27-21-19(16)20(23-13-24-21)22-10-15-11-25-17-8-4-5-9-18(17)26-15/h1-9,12-13,15H,10-11H2,(H,22,23,24)