3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-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 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C20H25N5O4/c1-12-10-15(13(2)25(12)14-6-7-14)19(27)29-9-5-8-24-18(26)16-17(21-11-22(16)3)23(4)20(24)28/h10-11,14H,5-9H2,1-4H3