3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C18H21N5O5/c1-11(24)12-8-13(20(2)9-12)17(26)28-7-5-6-23-16(25)14-15(19-10-21(14)3)22(4)18(23)27/h8-10H,5-7H2,1-4H3