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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-9(2)10-4-6-11(7-5-10)16(23)25-8-12(21)13-14(18)20(3)17(24)19-15(13)22/h4-7,9H,8,18H2,1-3H3,(H,19,22,24)