[2-[[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-[(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C22H28N4O8 MolecularWeight: 476.47972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)N

InChI

InChI=1S/C22H28N4O8/c1-13(2)11-26-19(23)18(20(28)24-22(26)30)25(6-7-31-3)17(27)12-34-21(29)14-4-5-15-16(10-14)33-9-8-32-15/h4-5,10,13H,6-9,11-12,23H2,1-3H3,(H,24,28,30)