[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C15H15N3O5 MolecularWeight: 317.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N

InChI

InChI=1S/C15H15N3O5/c1-8-3-5-9(6-4-8)14(21)23-7-10(19)11-12(16)18(2)15(22)17-13(11)20/h3-6H,7,16H2,1-2H3,(H,17,20,22)