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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-thiophen-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-thiophen-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3-dimethyl-7-(2-thienyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H23N5O3S2 MolecularWeight: 445.55832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CS3)SCC(=O)N4CCCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H23N5O3S2/c1-23-17-15(19(27)24(2)20(23)28)18(22-16(21-17)13-8-7-11-29-13)30-12-14(26)25-9-5-3-4-6-10-25/h7-8,11H,3-6,9-10,12H2,1-2H3