[2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)C(C)C)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=C(C=C2)C(C)C)N

InChI

InChI=1S/C21H27N3O5/c1-12(2)10-24-18(22)17(19(26)23(5)21(24)28)16(25)11-29-20(27)15-8-6-14(7-9-15)13(3)4/h6-9,12-13H,10-11,22H2,1-5H3