N6-(1,3-benzodioxol-5-yl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(1,3-benzothiazol-2-yl)amine Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C18H14N6O2S/c19-15-16(22-10-5-6-12-13(7-10)26-9-25-12)20-8-21-17(15)24-18-23-11-3-1-2-4-14(11)27-18/h1-8H,9,19H2,(H2,20,21,22,23,24)