5-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine Openeye Name: 5-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine CAS Name: 5-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidin-4-yl]amine Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H21N5S/c1-21(2,3)14-7-4-12(5-8-14)18-17(19(22)26-20(23)25-18)13-6-9-15-16(10-13)27-11-24-15/h4-11H,1-3H3,(H4,22,23,25,26)