N4-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine CAS Name: N4-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1,3-benzothiazol-6-yl)-6-(4-tert-butylphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-tert-butylphenyl)pyrimidin-4-yl]-(1,3-benzothiazol-6-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=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC4=C(C=C3)N=CS4

InChI

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