4-[7-chloranyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]butanenitrile

Systemtic Name: 4-[7-chloranyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]butanenitrile Openeye Name: 4-(7-chloro-1-methyl-2,4-dioxo-6-phenyl-pteridin-3-yl)butanenitrile CAS Name: 4-(7-chloro-1-methyl-2,4-dioxo-6-phenyl-3-pteridinyl)butanenitrile IUPAC Name: 4-(7-chloro-1-methyl-2,4-dioxo-6-phenylpteridin-3-yl)butanenitrile Traditional Name: 4-(7-chloro-2,4-diketo-1-methyl-6-phenyl-pteridin-3-yl)butyronitrile Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O2/c1-22-15-13(16(24)23(17(22)25)10-6-5-9-19)20-12(14(18)21-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,10H2,1H3