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

Systemtic Name: N4-tert-butyl-N6-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N4-tert-butyl-N6-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N4-tert-butyl-N6-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-tert-butyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(tert-butylamino)pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C16H20N6S MolecularWeight: 328.4352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NC(C)(C)C)N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NC(C)(C)C)N

InChI

InChI=1S/C16H20N6S/c1-9-6-5-7-10-12(9)20-15(23-10)21-13-11(17)14(19-8-18-13)22-16(2,3)4/h5-8H,17H2,1-4H3,(H2,18,19,20,21,22)