6-[1,4-dimethyl-5,7-bis(oxidanylidene)-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[1,4-dimethyl-5,7-bis(oxidanylidene)-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]hexan-2-yl ethanoate Openeye Name: [5-(1,4-dimethyl-5,7-dioxo-triazolo[4,5-d]pyrimidin-6-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-(1,4-dimethyl-5,7-dioxo-6-triazolo[4,5-d]pyrimidinyl)hexan-2-yl ester IUPAC Name: 6-(1,4-dimethyl-5,7-dioxotriazolo[4,5-d]pyrimidin-6-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(5,7-diketo-1,4-dimethyl-triazolo[4,5-d]pyrimidin-6-yl)-1-methyl-pentyl] ester Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=NN2C)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=NN2C)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C14H21N5O4/c1-9(23-10(2)20)7-5-6-8-19-13(21)11-12(15-16-18(11)4)17(3)14(19)22/h9H,5-8H2,1-4H3