3-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]quinazolin-4-one

Systemtic Name: 3-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]quinazolin-4-one Openeye Name: 3-[(1S)-1-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[(2S)-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]-4-quinazolinone IUPAC Name: 3-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4-one Traditional Name: 3-[(1S)-2-keto-1-methyl-2-(4-methylpiperazino)ethyl]quinazolin-4-one Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H20N4O2/c1-12(15(21)19-9-7-18(2)8-10-19)20-11-17-14-6-4-3-5-13(14)16(20)22/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1