6-chloranyl-1,3-dimethyl-7-[(E)-2-phenyl-2-piperidin-1-yl-ethenyl]pteridine-2,4-dione

Systemtic Name: 6-chloranyl-1,3-dimethyl-7-[(E)-2-phenyl-2-piperidin-1-yl-ethenyl]pteridine-2,4-dione Openeye Name: 6-chloro-1,3-dimethyl-7-[(E)-2-phenyl-2-(1-piperidyl)vinyl]pteridine-2,4-dione CAS Name: 6-chloro-1,3-dimethyl-7-[(E)-2-phenyl-2-(1-piperidinyl)ethenyl]pteridine-2,4-dione IUPAC Name: 6-chloro-1,3-dimethyl-7-[(E)-2-phenyl-2-piperidin-1-ylethenyl]pteridine-2,4-dione Traditional Name: 6-chloro-1,3-dimethyl-7-[(E)-2-phenyl-2-piperidino-vinyl]pteridine-2,4-quinone Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)C=C(C3=CC=CC=C3)N4CCCCC4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(C(=N2)/C=C(\C3=CC=CC=C3)/N4CCCCC4)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-25-19-17(20(28)26(2)21(25)29)24-18(22)15(23-19)13-16(14-9-5-3-6-10-14)27-11-7-4-8-12-27/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3/b16-13+