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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=CSC4=NC=NC(=C34)NCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=CSC4=NC=NC(=C34)NCC5=CC=CC=C5

InChI

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