butyl 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoate

Systemtic Name: butyl 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoate Openeye Name: butyl 3-(8-amino-6-oxo-purin-2-yl)-4-propoxy-benzoate CAS Name: 3-(8-amino-6-oxo-2-purinyl)-4-propoxybenzoic acid butyl ester IUPAC Name: butyl 3-(8-amino-6-oxopurin-2-yl)-4-propoxybenzoate Traditional Name: 3-(8-amino-6-keto-purin-2-yl)-4-propoxy-benzoic acid butyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C=C1)OCCC)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C=C1)OCCC)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C19H21N5O4/c1-3-5-9-28-18(26)11-6-7-13(27-8-4-2)12(10-11)15-22-16-14(17(25)23-15)21-19(20)24-16/h6-7,10H,3-5,8-9H2,1-2H3,(H2,20,22,23,24,25)