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

Systemtic Name: 7-[(Z)-2-(butylamino)-2-phenyl-ethenyl]-1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione Openeye Name: 7-[(Z)-2-(butylamino)-2-phenyl-vinyl]-1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione CAS Name: 7-[(Z)-2-(butylamino)-2-phenylethenyl]-1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione IUPAC Name: 7-[(Z)-2-(butylamino)-2-phenylethenyl]-1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-dione Traditional Name: 7-[(Z)-2-(butylamino)-2-phenyl-vinyl]-1,3-dimethyl-6-(2-phenylethynyl)pteridine-2,4-quinone Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN/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/C28H27N5O2/c1-4-5-18-29-23(21-14-10-7-11-15-21)19-24-22(17-16-20-12-8-6-9-13-20)30-25-26(31-24)32(2)28(35)33(3)27(25)34/h6-15,19,29H,4-5,18H2,1-3H3/b23-19-