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

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic 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] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N)N3C=CC=C3)C

InChI

InChI=1S/C18H18N4O5S/c1-9-10(2)28-16(22-6-4-5-7-22)12(9)17(25)27-8-11(23)13-14(19)21(3)18(26)20-15(13)24/h4-7H,8,19H2,1-3H3,(H,20,24,26)