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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-azanylpropoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-aminopropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(3-aminopropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-aminopropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(3-aminopropoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCN)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCN)N)NC2=O

InChI

InChI=1S/C18H22N6O4/c1-27-13(25)9-11-4-2-5-12(8-11)10-24-16-14(21-18(24)26)15(20)22-17(23-16)28-7-3-6-19/h2,4-5,8H,3,6-7,9-10,19H2,1H3,(H,21,26)(H2,20,22,23)