tert-butyl 4-(2-butyl-4-oxidanylidene-1H-quinazolin-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-butyl-4-oxidanylidene-1H-quinazolin-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-butyl-4-oxo-1H-quinazolin-6-yl)piperazine-1-carboxylate CAS Name: 4-(2-butyl-4-oxo-1H-quinazolin-6-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-butyl-4-oxo-1H-quinazolin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(2-butyl-4-keto-1H-quinazolin-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C2=C(N1)C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NC(=O)C2=C(N1)C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O3/c1-5-6-7-18-22-17-9-8-15(14-16(17)19(26)23-18)24-10-12-25(13-11-24)20(27)28-21(2,3)4/h8-9,14H,5-7,10-13H2,1-4H3,(H,22,23,26)