3-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl ethanoate

Systemtic Name: 3-[6-azanyl-8-[(7-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-[(7-chloro-1,3-benzothiazol-2-yl)thio]purin-9-yl]propyl ester Formula: C17H15ClN6O2S2 MolecularWeight: 434.923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

Isomeric SMILES

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=NC4=C(S3)C(=CC=C4)Cl

InChI

InChI=1S/C17H15ClN6O2S2/c1-9(25)26-7-3-6-24-15-12(14(19)20-8-21-15)23-16(24)28-17-22-11-5-2-4-10(18)13(11)27-17/h2,4-5,8H,3,6-7H2,1H3,(H2,19,20,21)