methyl 2-[3,9-dimethyl-7-(3-methylbutyl)-6,8-bis(oxidanylidene)-4H-purino[8,7-c][1,2,4]triazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3,9-dimethyl-7-(3-methylbutyl)-6,8-bis(oxidanylidene)-4H-purino[8,7-c][1,2,4]triazin-1-yl]ethanoate Openeye Name: methyl 2-(7-isopentyl-3,9-dimethyl-6,8-dioxo-4H-purino[8,7-c][1,2,4]triazin-1-yl)acetate CAS Name: 2-[3,9-dimethyl-7-(3-methylbutyl)-6,8-dioxo-4H-purino[8,7-c][1,2,4]triazin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3,9-dimethyl-7-(3-methylbutyl)-6,8-dioxo-4H-purino[8,7-c][1,2,4]triazin-1-yl]acetate Traditional Name: 2-(7-isoamyl-6,8-diketo-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazin-1-yl)acetic acid methyl ester Formula: C17H24N6O4 MolecularWeight: 376.41026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC(C)C)CC(=O)OC

Isomeric SMILES

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CCC(C)C)CC(=O)OC

InChI

InChI=1S/C17H24N6O4/c1-10(2)6-7-21-15(25)13-14(20(4)17(21)26)18-16-22(13)8-11(3)19-23(16)9-12(24)27-5/h10H,6-9H2,1-5H3