3-(1,3-benzothiazol-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(7H-purin-6-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(7H-purin-6-yl)piperazino]propan-1-one Formula: C19H19N7OS MolecularWeight: 393.46546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)CCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)CCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H19N7OS/c27-16(6-5-15-24-13-3-1-2-4-14(13)28-15)25-7-9-26(10-8-25)19-17-18(21-11-20-17)22-12-23-19/h1-4,11-12H,5-10H2,(H,20,21,22,23)