6-[[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[3-(4-butan-2-ylphenyl)-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[6-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxo-2-quinazolinyl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[3-(4-butan-2-ylphenyl)-6-chloro-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[6-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C25H25ClN4O3S MolecularWeight: 497.009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=CC(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=CC(=O)N(C(=O)N4C)C

InChI

InChI=1S/C25H25ClN4O3S/c1-5-15(2)16-6-9-18(10-7-16)30-23(32)20-12-17(26)8-11-21(20)27-24(30)34-14-19-13-22(31)29(4)25(33)28(19)3/h6-13,15H,5,14H2,1-4H3