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

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-oxo-4-pyrrolidin-1-yl-butyl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-[4-oxo-4-(1-pyrrolidinyl)butyl]-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(4-oxo-4-pyrrolidin-1-ylbutyl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(4-keto-4-pyrrolidino-butyl)quinazolin-4-one Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCCC4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCCC4)N

InChI

InChI=1S/C22H26N6O3S/c1-15-13-18(23)25-28(15)20(30)14-32-22-24-17-8-3-2-7-16(17)21(31)27(22)12-6-9-19(29)26-10-4-5-11-26/h2-3,7-8,13H,4-6,9-12,14H2,1H3,(H2,23,25)