N-(1,3-benzodioxol-5-yl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amine Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H19N3O3S/c1-3-26-16-7-4-14(5-8-16)19-13(2)29-22-20(19)21(23-11-24-22)25-15-6-9-17-18(10-15)28-12-27-17/h4-11H,3,12H2,1-2H3,(H,23,24,25)