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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-diethylaminoethyloxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-diethylaminoethyloxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-diethylaminoethyloxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-diethylaminoethyloxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-diethylaminoethyloxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCN(CC)CCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C21H28N6O4/c1-4-26(5-2)9-10-31-20-24-18(22)17-19(25-20)27(21(29)23-17)13-15-8-6-7-14(11-15)12-16(28)30-3/h6-8,11H,4-5,9-10,12-13H2,1-3H3,(H,23,29)(H2,22,24,25)