[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CN3C)C(=O)C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC(=CN3C)C(=O)C)C

InChI

InChI=1S/C19H23N5O5/c1-5-6-7-24-16-15(17(26)21-19(24)28)23(4)14(20-16)10-29-18(27)13-8-12(11(2)25)9-22(13)3/h8-9H,5-7,10H2,1-4H3,(H,21,26,28)