1,3-dimethyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C18H19N5O3S2/c1-21-15-13(17(25)22(2)18(21)26)16(20-14(19-15)11-6-5-9-27-11)28-10-12(24)23-7-3-4-8-23/h5-6,9H,3-4,7-8,10H2,1-2H3