2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1-phenylbutan-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1-phenylbutan-2-yl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(1-benzylpropyl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(1-phenylbutan-2-yl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(1-phenylbutan-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(1-benzylpropyl)quinazolin-4-one Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

InChI

InChI=1S/C24H25N5O2S/c1-3-18(14-17-9-5-4-6-10-17)28-23(31)19-11-7-8-12-20(19)26-24(28)32-15-22(30)29-16(2)13-21(25)27-29/h4-13,18H,3,14-15H2,1-2H3,(H2,25,27)