methyl 3-[6-azanyl-9-[(6-methylpyridin-3-yl)methyl]purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-9-[(6-methylpyridin-3-yl)methyl]purin-2-yl]propanoate Openeye Name: methyl 3-[6-amino-9-[(6-methyl-3-pyridyl)methyl]purin-2-yl]propanoate CAS Name: 3-[6-amino-9-[(6-methyl-3-pyridinyl)methyl]-2-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-9-[(6-methylpyridin-3-yl)methyl]purin-2-yl]propanoate Traditional Name: 3-[6-amino-9-[(6-methyl-3-pyridyl)methyl]purin-2-yl]propionic acid methyl ester Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)CCC(=O)OC

Isomeric SMILES

CC1=NC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)CCC(=O)OC

InChI

InChI=1S/C16H18N6O2/c1-10-3-4-11(7-18-10)8-22-9-19-14-15(17)20-12(21-16(14)22)5-6-13(23)24-2/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,20,21)