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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-ethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C19H18N6S MolecularWeight: 362.45142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C19H18N6S/c1-2-12-7-3-4-8-13(12)23-17-16(20)18(22-11-21-17)25-19-24-14-9-5-6-10-15(14)26-19/h3-11H,2,20H2,1H3,(H2,21,22,23,24,25)