2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(4-methoxyphenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C(=O)N2C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C(=O)N2C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H29N3O4S/c1-19-4-5-20(2)22(16-19)18-37-29-30-26-17-21(27(33)31-12-14-36-15-13-31)6-11-25(26)28(34)32(29)23-7-9-24(35-3)10-8-23/h4-11,16-17H,12-15,18H2,1-3H3