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

Systemtic Name: 8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-diethoxyphosphorylethyl)purin-6-amine Openeye Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-diethoxyphosphorylethyl)purin-6-amine CAS Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-(2-diethoxyphosphorylethyl)-6-purinamine IUPAC Name: 8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-(2-diethoxyphosphorylethyl)purin-6-amine Traditional Name: [8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-(2-diethoxyphosphorylethyl)purin-6-yl]amine Formula: C18H20ClN6O3PS2 MolecularWeight: 498.946561

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl)OCC

Isomeric SMILES

CCOP(=O)(CCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl)OCC

InChI

InChI=1S/C18H20ClN6O3PS2/c1-3-27-29(26,28-4-2)9-8-25-16-13(15(20)21-10-22-16)24-17(25)31-18-23-12-7-5-6-11(19)14(12)30-18/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22)