methyl 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]pyridin-3-yl]ethanoate Openeye Name: methyl 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-pyridyl]acetate CAS Name: 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]pyridin-3-yl]acetate Traditional Name: 2-[5-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-3-pyridyl]acetic acid methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4/c1-3-4-5-28-17-22-15(19)14-16(23-17)24(18(26)21-14)10-12-6-11(8-20-9-12)7-13(25)27-2/h6,8-9H,3-5,7,10H2,1-2H3,(H,21,26)(H2,19,22,23)