4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-1-[(2S)-2-oxidanylpropyl]pyridine-3-carbonitrile

Systemtic Name: 4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-2-oxidanylidene-1-[(2S)-2-oxidanylpropyl]pyridine-3-carbonitrile Openeye Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-pyridine-3-carbonitrile CAS Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-4-methyl-5-[(4-methyl-1-piperazinyl)methyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile Traditional Name: 6-hydroxy-1-[(2S)-2-hydroxypropyl]-2-keto-4-methyl-5-[(4-methylpiperazino)methyl]nicotinonitrile Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CN2CCN(CC2)C)O)CC(C)O)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CN2CCN(CC2)C)O)C[C@H](C)O)C#N

InChI

InChI=1S/C16H24N4O3/c1-11(21)9-20-15(22)13(8-17)12(2)14(16(20)23)10-19-6-4-18(3)5-7-19/h11,21,23H,4-7,9-10H2,1-3H3/t11-/m0/s1