dodecyl 2-(2-methylpropanoylamino)-4-oxidanylidene-7-tridecanoyloxy-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: dodecyl 2-(2-methylpropanoylamino)-4-oxidanylidene-7-tridecanoyloxy-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: dodecyl 2-(2-methylpropanoylamino)-4-oxo-7-tridecanoyloxy-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-4-oxo-7-(1-oxotridecoxy)-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid dodecyl ester IUPAC Name: dodecyl 2-(2-methylpropanoylamino)-4-oxo-7-tridecanoyloxy-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-(isobutyrylamino)-4-keto-7-tridecanoyloxy-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid lauryl ester Formula: C37H61N3O6 MolecularWeight: 643.89674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CN2C(=O)C=C(NC2=C1C(=O)OCCCCCCCCCCCC)NC(=O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CN2C(=O)C=C(NC2=C1C(=O)OCCCCCCCCCCCC)NC(=O)C(C)C

InChI

InChI=1S/C37H61N3O6/c1-5-7-9-11-13-15-17-19-21-23-25-33(42)46-30-28-40-32(41)27-31(39-36(43)29(3)4)38-35(40)34(30)37(44)45-26-24-22-20-18-16-14-12-10-8-6-2/h27-29,38H,5-26H2,1-4H3,(H,39,43)