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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)C

InChI

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