3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-methylthiophene-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-methylthiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-methylthiophene-2-carboxylate CAS Name: 5-methyl-2-thiophenecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 5-methylthiophene-2-carboxylate Traditional Name: 5-methylthiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H18N4O4S/c1-10-5-6-11(25-10)15(22)24-8-4-7-20-14(21)12-13(17-9-18(12)2)19(3)16(20)23/h5-6,9H,4,7-8H2,1-3H3