methyl 3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]benzoate

Systemtic Name: methyl 3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]benzoate Openeye Name: methyl 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate CAS Name: 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate Traditional Name: 3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzoic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H21N5O4/c1-3-4-8-27-17-21-14(19)13-15(22-17)23(18(25)20-13)10-11-6-5-7-12(9-11)16(24)26-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,20,25)(H2,19,21,22)