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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic 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-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N

InChI

InChI=1S/C18H21N3O6/c1-10(2)26-8-11-4-6-12(7-5-11)17(24)27-9-13(22)14-15(19)21(3)18(25)20-16(14)23/h4-7,10H,8-9,19H2,1-3H3,(H,20,23,25)