N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-[3-(1,3-benzothiazol-2-yl)phenyl]-N4-[3-(1-piperazinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-N-(3-piperazin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-[3-(1,3-benzothiazol-2-yl)anilino]pyrimidin-4-yl]-(3-piperazinopropyl)amine Formula: C24H27N7S MolecularWeight: 445.58308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1)CCCNC2=NC(=NC=C2)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H27N7S/c1-2-8-21-20(7-1)29-23(32-21)18-5-3-6-19(17-18)28-24-27-11-9-22(30-24)26-10-4-14-31-15-12-25-13-16-31/h1-3,5-9,11,17,25H,4,10,12-16H2,(H2,26,27,28,30)