tert-butyl 7-[8-chloranyl-7-methyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]heptanoate

Systemtic Name: tert-butyl 7-[8-chloranyl-7-methyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]heptanoate Openeye Name: tert-butyl 7-(8-chloro-7-methyl-2,4-dioxo-benzo[g]pteridin-10-yl)heptanoate CAS Name: 7-(8-chloro-7-methyl-2,4-dioxo-10-benzo[g]pteridinyl)heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-(8-chloro-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)heptanoate Traditional Name: 7-(8-chloro-2,4-diketo-7-methyl-benzo[g]pteridin-10-yl)enanthic acid tert-butyl ester Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27ClN4O4/c1-13-11-15-16(12-14(13)23)27(19-18(24-15)20(29)26-21(30)25-19)10-8-6-5-7-9-17(28)31-22(2,3)4/h11-12H,5-10H2,1-4H3,(H,26,29,30)