3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-22-10-21-16-14(22)17(25)24(19(27)23(16)2)8-5-9-28-18(26)15-13(20)11-6-3-4-7-12(11)29-15/h3-4,6-7,10H,5,8-9H2,1-2H3