N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[6-ethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C3=CN=CC=C3)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C3=CN=CC=C3)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H20N4O2S/c1-2-16-11-17-21(24-12-14-5-6-18-19(10-14)28-9-8-27-18)25-20(26-22(17)29-16)15-4-3-7-23-13-15/h3-7,10-11,13H,2,8-9,12H2,1H3,(H,24,25,26)