[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-thiophen-3-ylethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-thiophen-3-ylethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CSC=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CSC=C3)CC

InChI

InChI=1S/C18H22N4O4S/c1-3-5-7-22-16-15(17(24)20-18(22)25)21(4-2)13(19-16)10-26-14(23)9-12-6-8-27-11-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,20,24,25)