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

Systemtic Name: N6-(2-ethylphenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(2-ethylphenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(2-ethylphenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(2-ethylphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)N

InChI

InChI=1S/C20H20N6OS/c1-3-12-6-4-5-7-14(12)24-18-17(21)19(23-11-22-18)26-20-25-15-9-8-13(27-2)10-16(15)28-20/h4-11H,3,21H2,1-2H3,(H2,22,23,24,25,26)