(4S)-2-azanyl-4-cyclohexyl-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-cyclohexyl-6-(hydroxymethyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carbonitrile Openeye Name: (4S)-2-amino-4-cyclohexyl-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile CAS Name: (4S)-2-amino-4-cyclohexyl-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-cyclohexyl-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carbonitrile Traditional Name: (4S)-2-amino-4-cyclohexyl-8-keto-6-methylol-4H-pyrano[3,2-b]pyran-3-carbonitrile Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N

Isomeric SMILES

C1CCC(CC1)[C@H]2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N

InChI

InChI=1S/C16H18N2O4/c17-7-11-13(9-4-2-1-3-5-9)15-14(22-16(11)18)12(20)6-10(8-19)21-15/h6,9,13,19H,1-5,8,18H2/t13-/m0/s1