Benzoicacid,4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo[3,4-i]purin-3-yl)-,methyl ester

CAS

135445-93-1

Catalog Number

ACM135445931

Category

Other Products

Molecular Weight

366.3739

Molecular Formula

C₁₈H₁₈N₆O₃

MSDS COA Spec Sheet

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Specification

Synonyms

CID3077744, CID 3077744, LS-37029, 135445-93-1, Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester

IUPAC Name

methyl 4-(9-methyl-5-oxo-6-propyl-[1,2,4]triazolo[3,4-f]purin-3-yl)benzoate

Canonical SMILES

CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)C(=O)OC)N(C=N2)C

InChI Key

SNUAZYOYFIAUDS-UHFFFAOYSA-N

Boiling Point

687.2ºC at 760mmHg

Flash Point

369.4ºC

Density

1.44g/cm³

Exact Mass

366.14400

H-Bond Acceptor

H-Bond Donor

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