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

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[3-(4-methylpiperidin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-[3-(4-methyl-1-piperidyl)propyl]quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-[3-(4-methyl-1-piperidinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-[3-(4-methylpiperidin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-[3-(4-methylpiperidino)propyl]quinazolin-4-one Formula: C23H30N6O2S MolecularWeight: 454.5883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

Isomeric SMILES

CC1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4C(=CC(=N4)N)C

InChI

InChI=1S/C23H30N6O2S/c1-16-8-12-27(13-9-16)10-5-11-28-22(31)18-6-3-4-7-19(18)25-23(28)32-15-21(30)29-17(2)14-20(24)26-29/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3,(H2,24,26)