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

Systemtic Name: tert-butyl 4-[7-chloranyl-1-methyl-2,4-bis(oxidanylidene)-6-phenyl-pteridin-3-yl]butanoate Openeye Name: tert-butyl 4-(7-chloro-1-methyl-2,4-dioxo-6-phenyl-pteridin-3-yl)butanoate CAS Name: 4-(7-chloro-1-methyl-2,4-dioxo-6-phenyl-3-pteridinyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-chloro-1-methyl-2,4-dioxo-6-phenylpteridin-3-yl)butanoate Traditional Name: 4-(7-chloro-2,4-diketo-1-methyl-6-phenyl-pteridin-3-yl)butyric acid tert-butyl ester Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCN1C(=O)C2=C(N=C(C(=N2)C3=CC=CC=C3)Cl)N(C1=O)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCN1C(=O)C2=C(N=C(C(=N2)C3=CC=CC=C3)Cl)N(C1=O)C

InChI

InChI=1S/C21H23ClN4O4/c1-21(2,3)30-14(27)11-8-12-26-19(28)16-18(25(4)20(26)29)24-17(22)15(23-16)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3