methyl 3-[6-azanyl-9-[(6-methylpyridin-3-yl)methyl]-8-oxidanylidene-7H-purin-2-yl]propanoate

Systemtic Name: methyl 3-[6-azanyl-9-[(6-methylpyridin-3-yl)methyl]-8-oxidanylidene-7H-purin-2-yl]propanoate Openeye Name: methyl 3-[6-amino-9-[(6-methyl-3-pyridyl)methyl]-8-oxo-7H-purin-2-yl]propanoate CAS Name: 3-[6-amino-9-[(6-methyl-3-pyridinyl)methyl]-8-oxo-7H-purin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-9-[(6-methylpyridin-3-yl)methyl]-8-oxo-7H-purin-2-yl]propanoate Traditional Name: 3-[6-amino-8-keto-9-[(6-methyl-3-pyridyl)methyl]-7H-purin-2-yl]propionic acid methyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CN2C3=C(C(=NC(=N3)CCC(=O)OC)N)NC2=O

Isomeric SMILES

CC1=NC=C(C=C1)CN2C3=C(C(=NC(=N3)CCC(=O)OC)N)NC2=O

InChI

InChI=1S/C16H18N6O3/c1-9-3-4-10(7-18-9)8-22-15-13(21-16(22)24)14(17)19-11(20-15)5-6-12(23)25-2/h3-4,7H,5-6,8H2,1-2H3,(H,21,24)(H2,17,19,20)