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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC(=O)N3CCCCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H27N5O3S/c1-4-9-13-20-16-15(18(26)23(3)19(27)22(16)2)17(21-13)28-12-14(25)24-10-7-5-6-8-11-24/h4-12H2,1-3H3