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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H19N3O3S/c1-26-15-8-6-14(7-9-15)17-12-29-22-20(17)21(24-13-25-22)23-10-16-11-27-18-4-2-3-5-19(18)28-16/h2-9,12-13,16H,10-11H2,1H3,(H,23,24,25)