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

Systemtic Name: ethyl 4-[7-chloranyl-1-ethyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]butanoate Openeye Name: ethyl 4-(7-chloro-1-ethyl-2,4-dioxo-6-phenyl-pteridin-3-yl)butanoate CAS Name: 4-(7-chloro-1-ethyl-2,4-dioxo-6-phenyl-3-pteridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(7-chloro-1-ethyl-2,4-dioxo-6-phenylpteridin-3-yl)butanoate Traditional Name: 4-(7-chloro-1-ethyl-2,4-diketo-6-phenyl-pteridin-3-yl)butyric acid ethyl ester Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCC(=O)OCC)N=C(C(=N2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCC(=O)OCC)N=C(C(=N2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O4/c1-3-24-18-16(22-15(17(21)23-18)13-9-6-5-7-10-13)19(27)25(20(24)28)12-8-11-14(26)29-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3