3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-(furan-2-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-3-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-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)-3-methyl-thiophene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C21H21N5O6S/c1-12-10-14(23-18(27)13-6-4-8-31-13)33-16(12)20(29)32-9-5-7-26-19(28)15-17(22-11-24(15)2)25(3)21(26)30/h4,6,8,10-11H,5,7,9H2,1-3H3,(H,23,27)