[2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23N3O5/c1-3-25-21(28)19(18(27)14-31-22(29)17-11-9-15(2)10-12-17)20(24)26(23(25)30)13-16-7-5-4-6-8-16/h4-12H,3,13-14,24H2,1-2H3