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

Systemtic Name: N6-(4-butylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-butylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(4-butylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-butylanilino)pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C22H24N6S MolecularWeight: 404.53116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)N

InChI

InChI=1S/C22H24N6S/c1-3-4-7-15-9-11-16(12-10-15)26-20-18(23)21(25-13-24-20)28-22-27-19-14(2)6-5-8-17(19)29-22/h5-6,8-13H,3-4,7,23H2,1-2H3,(H2,24,25,26,27,28)