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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3N)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H16N6O3S/c1-26-11-3-4-12-15(7-11)29-19(24-12)25-18-16(20)17(21-8-22-18)23-10-2-5-13-14(6-10)28-9-27-13/h2-8H,9,20H2,1H3,(H2,21,22,23,24,25)