N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-pyrimidin-4-yl-1,3-benzothiazol-2-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-pyrimidin-4-yl-1,3-benzothiazol-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-pyrimidin-4-yl-1,3-benzothiazol-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(4-pyrimidinyl)-1,3-benzothiazol-2-amine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-pyrimidin-4-yl-1,3-benzothiazol-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-5-ylmethyl-[6-(4-pyrimidyl)-1,3-benzothiazol-2-yl]amine Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)CNC3=NC4=C(S3)C=C(C=C4)C5=NC=NC=C5

Isomeric SMILES

C1COC2=C(C=CC=C2O1)CNC3=NC4=C(S3)C=C(C=C4)C5=NC=NC=C5

InChI

InChI=1S/C20H16N4O2S/c1-2-14(19-17(3-1)25-8-9-26-19)11-22-20-24-16-5-4-13(10-18(16)27-20)15-6-7-21-12-23-15/h1-7,10,12H,8-9,11H2,(H,22,24)