N4-[2-azanyl-6-(4-tert-butylphenyl)pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine

Systemtic Name: N4-[2-azanyl-6-(4-tert-butylphenyl)pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine Openeye Name: N4-[2-amino-6-(4-tert-butylphenyl)pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine CAS Name: N4-[2-amino-6-(4-tert-butylphenyl)-4-pyrimidinyl]-1,3-benzothiazole-2,4-diamine IUPAC Name: 4-N-[2-amino-6-(4-tert-butylphenyl)pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine Traditional Name: (2-amino-1,3-benzothiazol-4-yl)-[2-amino-6-(4-tert-butylphenyl)pyrimidin-4-yl]amine Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=C4C(=CC=C3)SC(=N4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=C4C(=CC=C3)SC(=N4)N

InChI

InChI=1S/C21H22N6S/c1-21(2,3)13-9-7-12(8-10-13)15-11-17(26-19(22)25-15)24-14-5-4-6-16-18(14)27-20(23)28-16/h4-11H,1-3H3,(H2,23,27)(H3,22,24,25,26)