[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 3,6-dimethyl-4-oxo-5-furo[2,3-d]pyrimidinecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-3,6-dimethyl-furo[2,3-d]pyrimidine-5-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C18H23N3O5/c1-12-14(15-16(26-12)19-11-20(2)17(15)23)18(24)25-10-13(22)21-8-6-4-3-5-7-9-21/h11H,3-10H2,1-2H3