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

Systemtic Name: 4-[7-chloranyl-1-methyl-2,4-bis(oxidanylidene)pteridin-6-yl]benzenecarbonitrile Openeye Name: 4-(7-chloro-1-methyl-2,4-dioxo-pteridin-6-yl)benzonitrile CAS Name: 4-(7-chloro-1-methyl-2,4-dioxo-6-pteridinyl)benzonitrile IUPAC Name: 4-(7-chloro-1-methyl-2,4-dioxopteridin-6-yl)benzonitrile Traditional Name: 4-(7-chloro-2,4-diketo-1-methyl-pteridin-6-yl)benzonitrile Formula: C14H8ClN5O2 MolecularWeight: 313.69862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(C(=N2)Cl)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(C(=N2)Cl)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H8ClN5O2/c1-20-12-10(13(21)19-14(20)22)17-9(11(15)18-12)8-4-2-7(6-16)3-5-8/h2-5H,1H3,(H,19,21,22)