tert-butyl N-[3-[2-heptadecyl-4,5-bis(oxidanylidene)-6H-quinazolin-3-yl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-heptadecyl-4,5-bis(oxidanylidene)-6H-quinazolin-3-yl]propyl]carbamate Openeye Name: tert-butyl N-[3-(2-heptadecyl-4,5-dioxo-6H-quinazolin-3-yl)propyl]carbamate CAS Name: N-[3-(2-heptadecyl-4,5-dioxo-6H-quinazolin-3-yl)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2-heptadecyl-4,5-dioxo-6H-quinazolin-3-yl)propyl]carbamate Traditional Name: N-[3-(2-heptadecyl-4,5-diketo-6H-quinazolin-3-yl)propyl]carbamic acid tert-butyl ester Formula: C33H55N3O4 MolecularWeight: 557.8075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(C(=O)CC=C2)C(=O)N1CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(C(=O)CC=C2)C(=O)N1CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C33H55N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-35-27-22-20-23-28(37)30(27)31(38)36(29)26-21-25-34-32(39)40-33(2,3)4/h20,22H,5-19,21,23-26H2,1-4H3,(H,34,39)