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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C18H21N5O4/c1-3-7-27-17-21-15(19)14-16(22-17)23(18(25)20-14)10-12-6-4-5-11(8-12)9-13(24)26-2/h4-6,8H,3,7,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)