ethyl 5-[7-chloranyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]pentanoate

Systemtic Name: ethyl 5-[7-chloranyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]pentanoate Openeye Name: ethyl 5-(7-chloro-1-methyl-2,4-dioxo-6-phenyl-pteridin-3-yl)pentanoate CAS Name: 5-(7-chloro-1-methyl-2,4-dioxo-6-phenyl-3-pteridinyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(7-chloro-1-methyl-2,4-dioxo-6-phenylpteridin-3-yl)pentanoate Traditional Name: 5-(7-chloro-2,4-diketo-1-methyl-6-phenyl-pteridin-3-yl)valeric acid ethyl ester Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C(=O)C2=C(N=C(C(=N2)C3=CC=CC=C3)Cl)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCCN1C(=O)C2=C(N=C(C(=N2)C3=CC=CC=C3)Cl)N(C1=O)C

InChI

InChI=1S/C20H21ClN4O4/c1-3-29-14(26)11-7-8-12-25-19(27)16-18(24(2)20(25)28)23-17(21)15(22-16)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3