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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-ethyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-ethyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-ethyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H25N5O3S/c1-4-12-19-15-14(17(25)22(3)18(26)21(15)2)16(20-12)27-11-13(24)23-9-7-5-6-8-10-23/h4-11H2,1-3H3