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

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-[3-(1-piperidyl)propyl]quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-[3-(1-piperidinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(3-piperidin-1-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(3-piperidinopropyl)quinazolin-4-one Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCCCC4)N

InChI

InChI=1S/C22H28N6O2S/c1-16-14-19(23)25-28(16)20(29)15-31-22-24-18-9-4-3-8-17(18)21(30)27(22)13-7-12-26-10-5-2-6-11-26/h3-4,8-9,14H,2,5-7,10-13,15H2,1H3,(H2,23,25)