methyl 2-[3-[[6-azanyl-2-(3-oxidanylpropyl)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-oxidanylpropyl)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-hydroxypropyl)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(3-hydroxypropyl)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-hydroxypropyl)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(3-hydroxypropyl)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)CCCO

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)CCCO

InChI

InChI=1S/C18H21N5O3/c1-26-15(25)9-12-4-2-5-13(8-12)10-23-11-20-16-17(19)21-14(6-3-7-24)22-18(16)23/h2,4-5,8,11,24H,3,6-7,9-10H2,1H3,(H2,19,21,22)