N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methyl-1-piperazinyl)-2-pyrimidinamine IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine Traditional Name: [4-(1,3-benzothiazol-2-yl)phenyl]-[4-(4-methylpiperazino)pyrimidin-2-yl]amine Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC=C2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC=C2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N6S/c1-27-12-14-28(15-13-27)20-10-11-23-22(26-20)24-17-8-6-16(7-9-17)21-25-18-4-2-3-5-19(18)29-21/h2-11H,12-15H2,1H3,(H,23,24,26)