N2-(1,3-benzothiazol-6-yl)-N2-methyl-6-(4-methylpiperazin-1-yl)-N4-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-N2-methyl-6-(4-methylpiperazin-1-yl)-N4-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-N2-methyl-6-(4-methylpiperazin-1-yl)-N4-thiazol-5-yl-pyrimidine-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-N2-methyl-6-(4-methyl-1-piperazinyl)-N4-(5-thiazolyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-2-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-5-yl)pyrimidine-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-methyl-[4-(4-methylpiperazino)-6-(thiazol-5-ylamino)pyrimidin-2-yl]amine Formula: C20H22N8S2 MolecularWeight: 438.57228

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)N(C)C3=CC4=C(C=C3)N=CS4)NC5=CN=CS5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)N(C)C3=CC4=C(C=C3)N=CS4)NC5=CN=CS5

InChI

InChI=1S/C20H22N8S2/c1-26-5-7-28(8-6-26)18-10-17(23-19-11-21-12-30-19)24-20(25-18)27(2)14-3-4-15-16(9-14)29-13-22-15/h3-4,9-13H,5-8H2,1-2H3,(H,23,24,25)