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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-thiazol-2-yl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-thiazolyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=NC=CS4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=NC=CS4)N

InChI

InChI=1S/C14H12N6O2S/c15-11-12(17-6-18-13(11)20-14-16-3-4-23-14)19-8-1-2-9-10(5-8)22-7-21-9/h1-6H,7,15H2,(H2,16,17,18,19,20)