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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-thiophen-3-ylethanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-3-4-6-21-15-14(16(23)19-17(21)24)20(2)12(18-15)9-25-13(22)8-11-5-7-26-10-11/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,19,23,24)