ethyl 4-[9-(3-acetyloxypropyl)-6-azanyl-purin-8-yl]sulfanylbenzoate

Systemtic Name: ethyl 4-[9-(3-acetyloxypropyl)-6-azanyl-purin-8-yl]sulfanylbenzoate Openeye Name: ethyl 4-[9-(3-acetoxypropyl)-6-amino-purin-8-yl]sulfanylbenzoate CAS Name: 4-[[9-(3-acetyloxypropyl)-6-amino-8-purinyl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[9-(3-acetyloxypropyl)-6-aminopurin-8-yl]sulfanylbenzoate Traditional Name: 4-[[9-(3-acetoxypropyl)-6-amino-purin-8-yl]thio]benzoic acid ethyl ester Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)SC2=NC3=C(N2CCCOC(=O)C)N=CN=C3N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)SC2=NC3=C(N2CCCOC(=O)C)N=CN=C3N

InChI

InChI=1S/C19H21N5O4S/c1-3-27-18(26)13-5-7-14(8-6-13)29-19-23-15-16(20)21-11-22-17(15)24(19)9-4-10-28-12(2)25/h5-8,11H,3-4,9-10H2,1-2H3,(H2,20,21,22)