8-methyl-3-[3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 8-methyl-3-[3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 8-methyl-3-[3-[4-[(1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(1-methylpyrrol-3-yl)sulfonylpiperazino]propyl]-8-methyl-quinazolin-4-one Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C=C4)C

InChI

InChI=1S/C21H25N5O4S/c1-16-4-3-5-18-20(16)22-15-25(21(18)28)9-7-19(27)24-10-12-26(13-11-24)31(29,30)17-6-8-23(2)14-17/h3-6,8,14-15H,7,9-13H2,1-2H3