(3S)-4-(3-azanyl-6-oxidanylidene-pyridazin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-4-(3-azanyl-6-oxidanylidene-pyridazin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-4-(3-amino-6-oxo-pyridazin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S)-4-(3-amino-6-oxo-1-pyridazinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-4-(3-amino-6-oxopyridazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-4-(3-amino-6-keto-pyridazin-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C=CC(=N3)N)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C=CC(=N3)N)O)C

InChI

InChI=1S/C16H16N4O3/c1-16(2)15(22)14(20-13(21)6-5-12(18)19-20)10-7-9(8-17)3-4-11(10)23-16/h3-7,14-15,22H,1-2H3,(H2,18,19)/t14?,15-/m0/s1