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

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4)N

InChI

InChI=1S/C23H21N5O4S/c1-14-10-20(24)26-28(14)21(29)13-33-23-25-17-7-3-2-6-16(17)22(30)27(23)11-15-12-31-18-8-4-5-9-19(18)32-15/h2-10,15H,11-13H2,1H3,(H2,24,26)