3,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile

Systemtic Name: 3,3-dimethyl-2,4-bis(oxidanylidene)-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Openeye Name: 3,3-dimethyl-2,4-dioxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile CAS Name: 3,3-dimethyl-2,4-dioxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile IUPAC Name: 3,3-dimethyl-2,4-dioxo-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Traditional Name: 2,4-diketo-3,3-dimethyl-7-phenyl-1H-pyrrolo[1,2-a]pyrimidine-8-carbonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1(C(=O)NC2=C(C(=CN2C1=O)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C16H13N3O2/c1-16(2)14(20)18-13-11(8-17)12(9-19(13)15(16)21)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,18,20)