N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: (4-chloro-2,5-dimethoxy-phenyl)-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4OC)Cl)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4OC)Cl)OC

InChI

InChI=1S/C22H20ClN3O2S/c1-4-13-5-7-14(8-6-13)15-11-29-22-20(15)21(24-12-25-22)26-17-10-18(27-2)16(23)9-19(17)28-3/h5-12H,4H2,1-3H3,(H,24,25,26)