3-[6-azanyl-8-(3-methoxyphenyl)sulfanyl-purin-9-yl]propyl ethanoate

Systemtic Name: 3-[6-azanyl-8-(3-methoxyphenyl)sulfanyl-purin-9-yl]propyl ethanoate Openeye Name: 3-[6-amino-8-(3-methoxyphenyl)sulfanyl-purin-9-yl]propyl acetate CAS Name: acetic acid 3-[6-amino-8-[(3-methoxyphenyl)thio]-9-purinyl]propyl ester IUPAC Name: 3-[6-amino-8-(3-methoxyphenyl)sulfanylpurin-9-yl]propyl acetate Traditional Name: acetic acid 3-[6-amino-8-[(3-methoxyphenyl)thio]purin-9-yl]propyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC(=C3)OC

Isomeric SMILES

CC(=O)OCCCN1C2=C(C(=NC=N2)N)N=C1SC3=CC=CC(=C3)OC

InChI

InChI=1S/C17H19N5O3S/c1-11(23)25-8-4-7-22-16-14(15(18)19-10-20-16)21-17(22)26-13-6-3-5-12(9-13)24-2/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,18,19,20)