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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)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] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N

InChI

InChI=1S/C18H22N4O5/c1-3-4-9-20-12-8-6-5-7-11(12)17(25)27-10-13(23)14-15(19)22(2)18(26)21-16(14)24/h5-8,20H,3-4,9-10,19H2,1-2H3,(H,21,24,26)