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

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(1,3-benzodioxol-5-ylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(1,3-benzodioxol-5-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-piperonyl-quinazolin-4-one Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C22H19N5O4S/c1-13-8-19(23)25-27(13)20(28)11-32-22-24-16-5-3-2-4-15(16)21(29)26(22)10-14-6-7-17-18(9-14)31-12-30-17/h2-9H,10-12H2,1H3,(H2,23,25)