1,3-dimethyl-6-(2-phenylethynyl)-7-[(Z)-2-phenyl-2-(propylamino)ethenyl]pteridine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-(2-phenylethynyl)-7-[(Z)-2-phenyl-2-(propylamino)ethenyl]pteridine-2,4-dione Openeye Name: 1,3-dimethyl-6-(2-phenylethynyl)-7-[(Z)-2-phenyl-2-(propylamino)vinyl]pteridine-2,4-dione CAS Name: 1,3-dimethyl-6-(2-phenylethynyl)-7-[(Z)-2-phenyl-2-(propylamino)ethenyl]pteridine-2,4-dione IUPAC Name: 1,3-dimethyl-6-(2-phenylethynyl)-7-[(Z)-2-phenyl-2-(propylamino)ethenyl]pteridine-2,4-dione Traditional Name: 1,3-dimethyl-6-(2-phenylethynyl)-7-[(Z)-2-phenyl-2-(propylamino)vinyl]pteridine-2,4-quinone Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=CC1=C(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C#CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN/C(=C\C1=C(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C#CC3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C27H25N5O2/c1-4-17-28-22(20-13-9-6-10-14-20)18-23-21(16-15-19-11-7-5-8-12-19)29-24-25(30-23)31(2)27(34)32(3)26(24)33/h5-14,18,28H,4,17H2,1-3H3/b22-18-