N-(1,3-benzodioxol-5-yl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O2S/c1-2-13-3-5-14(6-4-13)16-10-27-21-19(16)20(22-11-23-21)24-15-7-8-17-18(9-15)26-12-25-17/h3-11H,2,12H2,1H3,(H,22,23,24)