methyl 2-[3-[[6-azanyl-2-(butylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(butylamino)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(butylamino)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C19H24N6O3/c1-3-4-8-21-18-23-16(20)15-17(24-18)25(19(27)22-15)11-13-7-5-6-12(9-13)10-14(26)28-2/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,22,27)(H3,20,21,23,24)