8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-morpholin-4-ylethyl)purin-6-amine

Systemtic Name: 8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-morpholinoethyl)purin-6-amine CAS Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: [8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-(2-morpholinoethyl)purin-6-yl]amine Formula: C18H18ClN7OS2 MolecularWeight: 447.96482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=C(C(=NC=N3)N)N=C2SC4=NC5=C(S4)C(=CC=C5)Cl

Isomeric SMILES

C1COCCN1CCN2C3=C(C(=NC=N3)N)N=C2SC4=NC5=C(S4)C(=CC=C5)Cl

InChI

InChI=1S/C18H18ClN7OS2/c19-11-2-1-3-12-14(11)28-18(23-12)29-17-24-13-15(20)21-10-22-16(13)26(17)5-4-25-6-8-27-9-7-25/h1-3,10H,4-9H2,(H2,20,21,22)