N4-(1,3-benzodioxol-5-yl)-N2-(1,3-benzothiazol-6-yl)-5-bromanyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N2-(1,3-benzothiazol-6-yl)-5-bromanyl-pyrimidine-2,4-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N2-(1,3-benzothiazol-6-yl)-5-bromo-pyrimidine-2,4-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N2-(1,3-benzothiazol-6-yl)-5-bromopyrimidine-2,4-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-2-N-(1,3-benzothiazol-6-yl)-5-bromopyrimidine-2,4-diamine Traditional Name: 1,3-benzodioxol-5-yl-[2-(1,3-benzothiazol-6-ylamino)-5-bromo-pyrimidin-4-yl]amine Formula: C18H12BrN5O2S MolecularWeight: 442.28918

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC=C3Br)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C18H12BrN5O2S/c19-12-7-20-18(23-11-1-3-13-16(6-11)27-8-21-13)24-17(12)22-10-2-4-14-15(5-10)26-9-25-14/h1-8H,9H2,(H2,20,22,23,24)