N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H17N3O3S/c1-25-15-5-2-13(3-6-15)16-11-28-21-19(16)20(22-12-23-21)24-14-4-7-17-18(10-14)27-9-8-26-17/h2-7,10-12H,8-9H2,1H3,(H,22,23,24)