6-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-(phenylmethyl)quinazoline-2,4-dione

Systemtic Name: 6-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 3-benzyl-6-chloro-1-(3,3-dimethyl-2-oxo-butyl)quinazoline-2,4-dione CAS Name: 6-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 3-benzyl-6-chloro-1-(3,3-dimethyl-2-oxobutyl)quinazoline-2,4-dione Traditional Name: 3-benzyl-6-chloro-1-(2-keto-3,3-dimethyl-butyl)quinazoline-2,4-quinone Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-21(2,3)18(25)13-23-17-10-9-15(22)11-16(17)19(26)24(20(23)27)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3