[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate CAS Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate Traditional Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C18H15N7O4 MolecularWeight: 393.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H15N7O4/c1-9(16(26)24-15-13-14(20-7-19-13)21-8-22-15)28-18(27)12-5-3-11(4-6-12)17-23-10(2)25-29-17/h3-9H,1-2H3,(H2,19,20,21,22,24,26)