5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-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-propan-2-yl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-isopropyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H27N5O3S MolecularWeight: 405.51438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)C1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H27N5O3S/c1-12(2)15-20-16-14(18(26)23(4)19(27)22(16)3)17(21-15)28-11-13(25)24-9-7-5-6-8-10-24/h12H,5-11H2,1-4H3