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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-cyclopropyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-cyclopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C19H25N5O3S/c1-22-16-14(18(26)23(2)19(22)27)17(21-15(20-16)12-7-8-12)28-11-13(25)24-9-5-3-4-6-10-24/h12H,3-11H2,1-2H3