3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic 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-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C3=CC=CS3

InChI

InChI=1S/C19H23N5O5S/c1-12(25)21-13(14-6-4-9-30-14)10-15(26)29-8-5-7-24-18(27)16-17(20-11-22(16)2)23(3)19(24)28/h4,6,9,11,13H,5,7-8,10H2,1-3H3,(H,21,25)