7-chloranyl-3-(oxolan-2-ylmethyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(oxolan-2-ylmethyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 7-chloro-3-(2-oxolanylmethyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(oxolan-2-ylmethyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(4-pyrazol-1-ylbenzyl)thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H21ClN4O2S/c24-17-6-9-20-21(13-17)26-23(27(22(20)29)14-19-3-1-12-30-19)31-15-16-4-7-18(8-5-16)28-11-2-10-25-28/h2,4-11,13,19H,1,3,12,14-15H2