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

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)N(C2=O)C)CC(C)C)N

InChI

InChI=1S/C23H31N3O6/c1-5-6-7-12-31-17-10-8-16(9-11-17)22(29)32-14-18(27)19-20(24)26(13-15(2)3)23(30)25(4)21(19)28/h8-11,15H,5-7,12-14,24H2,1-4H3