2-hexyldecyl 2-(diethanoylamino)-3-ethanoyl-4-oxidanylidene-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: 2-hexyldecyl 2-(diethanoylamino)-3-ethanoyl-4-oxidanylidene-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: 2-hexyldecyl 3-acetyl-2-(diacetylamino)-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 3-acetyl-2-(diacetylamino)-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 3-acetyl-2-(diacetylamino)-4-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 3-acetyl-2-(diacetylamino)-4-keto-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid 2-hexyldecyl ester Formula: C36H49N3O6 MolecularWeight: 619.79076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C(CN2C1=NC(=C(C2=O)C(=O)C)N(C(=O)C)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C(CN2C1=NC(=C(C2=O)C(=O)C)N(C(=O)C)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C36H49N3O6/c1-6-8-10-12-13-16-20-28(19-15-11-9-7-2)24-45-36(44)32-30(29-21-17-14-18-22-29)23-38-33(32)37-34(31(25(3)40)35(38)43)39(26(4)41)27(5)42/h14,17-18,21-22,28H,6-13,15-16,19-20,23-24H2,1-5H3