methyl 4-[bis[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]methyl]benzoate

Systemtic Name: methyl 4-[bis[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]methyl]benzoate Openeye Name: methyl 4-[bis(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)methyl]benzoate CAS Name: 4-[bis(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methyl]benzoate Traditional Name: 4-[bis(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)methyl]benzoic acid methyl ester Formula: C21H24N6O6 MolecularWeight: 456.45186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)C(=O)OC)C3=C(N(C(=O)N(C3=O)C)C)N)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)C(=O)OC)C3=C(N(C(=O)N(C3=O)C)C)N)N

InChI

InChI=1S/C21H24N6O6/c1-24-15(22)13(17(28)26(3)20(24)31)12(10-6-8-11(9-7-10)19(30)33-5)14-16(23)25(2)21(32)27(4)18(14)29/h6-9,12H,22-23H2,1-5H3