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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H16N6O2S/c1-10-3-2-4-14-16(10)24-19(28-14)25-18-15(20)17(21-8-22-18)23-11-5-6-12-13(7-11)27-9-26-12/h2-8H,9,20H2,1H3,(H2,21,22,23,24,25)