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

Systemtic Name: [2-[4-azanyl-1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 1-ethylindole-3-carboxylate Openeye Name: [2-(6-amino-1-isobutyl-3-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic 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] 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [2-(6-amino-1-isobutyl-2,4-diketo-3-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N

InChI

InChI=1S/C22H26N4O5/c1-5-25-11-15(14-8-6-7-9-16(14)25)21(29)31-12-17(27)18-19(23)26(10-13(2)3)22(30)24(4)20(18)28/h6-9,11,13H,5,10,12,23H2,1-4H3