2-[2-(4-butoxyphenoxy)-4H-pyrimidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4-butoxyphenoxy)-4H-pyrimidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[2-(4-butoxyphenoxy)-4H-pyrimidin-3-yl]-1,3-benzothiazole CAS Name: 2-[2-(4-butoxyphenoxy)-4H-pyrimidin-3-yl]-1,3-benzothiazole IUPAC Name: 2-[2-(4-butoxyphenoxy)-4H-pyrimidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[2-(4-butoxyphenoxy)-4H-pyrimidin-3-yl]-1,3-benzothiazole Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OC2=NC=CCN2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OC2=NC=CCN2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S/c1-2-3-15-25-16-9-11-17(12-10-16)26-20-22-13-6-14-24(20)21-23-18-7-4-5-8-19(18)27-21/h4-13H,2-3,14-15H2,1H3