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

Systemtic Name: (3S)-2,2-dimethyl-4-(3-methyl-2-oxidanylidene-1,3-diazinan-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxo-hexahydropyrimidin-1-yl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-(2-keto-3-methyl-hexahydropyrimidin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCN(C3=O)C)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3CCCN(C3=O)C)O)C

InChI

InChI=1S/C17H21N3O3/c1-17(2)15(21)14(20-8-4-7-19(3)16(20)22)12-9-11(10-18)5-6-13(12)23-17/h5-6,9,14-15,21H,4,7-8H2,1-3H3/t14?,15-/m0/s1