methyl 4-[3-[2-(2-azanyl-1-methyl-6-oxidanylidene-pyrimidin-4-yl)ethyl]phenyl]benzoate

Systemtic Name: methyl 4-[3-[2-(2-azanyl-1-methyl-6-oxidanylidene-pyrimidin-4-yl)ethyl]phenyl]benzoate Openeye Name: methyl 4-[3-[2-(2-amino-1-methyl-6-oxo-pyrimidin-4-yl)ethyl]phenyl]benzoate CAS Name: 4-[3-[2-(2-amino-1-methyl-6-oxo-4-pyrimidinyl)ethyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-amino-1-methyl-6-oxopyrimidin-4-yl)ethyl]phenyl]benzoate Traditional Name: 4-[3-[2-(2-amino-6-keto-1-methyl-pyrimidin-4-yl)ethyl]phenyl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C=C(N=C1N)CCC2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-24-19(25)13-18(23-21(24)22)11-6-14-4-3-5-17(12-14)15-7-9-16(10-8-15)20(26)27-2/h3-5,7-10,12-13H,6,11H2,1-2H3,(H2,22,23)