2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]carbonylphenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one Openeye Name: 2-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethyl-quinazolin-4-one CAS Name: 2-[[4-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]phenyl]methylthio]-3,5-dimethyl-4-quinazolinone IUPAC Name: 2-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methylsulfanyl]-3,5-dimethylquinazolin-4-one Traditional Name: 2-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzyl]thio]-3,5-dimethyl-quinazolin-4-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CCO

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CCO

InChI

InChI=1S/C24H28N4O3S/c1-17-4-3-5-20-21(17)23(31)26(2)24(25-20)32-16-18-6-8-19(9-7-18)22(30)28-12-10-27(11-13-28)14-15-29/h3-9,29H,10-16H2,1-2H3