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

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-4-one Formula: C27H29N7O3S MolecularWeight: 531.62926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5)N

InChI

InChI=1S/C27H29N7O3S/c1-19-17-23(28)30-34(19)25(36)18-38-27-29-22-10-6-5-9-21(22)26(37)33(27)12-11-24(35)32-15-13-31(14-16-32)20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3,(H2,28,30)