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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C21H17N3O4S/c1-25-15-5-3-12(7-17(15)26-2)14-9-29-21-19(14)20(22-10-23-21)24-13-4-6-16-18(8-13)28-11-27-16/h3-10H,11H2,1-2H3,(H,22,23,24)