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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-butylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(4-butylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H22N6S MolecularWeight: 390.50458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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