5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-8,8-dimethyl-4-oxidanylidene-3-phenyl-7H-oxepino[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-8,8-dimethyl-4-oxidanylidene-3-phenyl-7H-oxepino[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-8,8-dimethyl-4-oxo-3-phenyl-7H-oxepino[2,3-d]pyrimidine-6-carbonitrile CAS Name: 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-8,8-dimethyl-4-oxo-3-phenyl-7H-oxepino[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-8,8-dimethyl-4-oxo-3-phenyl-7H-oxepino[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-keto-2-methoxy-8,8-dimethyl-3-phenyl-7H-oxepino[2,3-d]pyrimidine-6-carbonitrile Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C2=C(O1)N=C(N(C2=O)C3=CC=CC=C3)OC)C4COC(O4)(C)C)C#N)C

Isomeric SMILES

CC1(CC(=C(C2=C(O1)N=C(N(C2=O)C3=CC=CC=C3)OC)[C@H]4COC(O4)(C)C)C#N)C

InChI

InChI=1S/C23H25N3O5/c1-22(2)11-14(12-24)17(16-13-29-23(3,4)30-16)18-19(31-22)25-21(28-5)26(20(18)27)15-9-7-6-8-10-15/h6-10,16H,11,13H2,1-5H3/t16-/m1/s1