5-(2-diethylaminoethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate

Systemtic Name: 5-(2-diethylaminoethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Openeye Name: 5-(2-diethylaminoethyl)-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione hydrate CAS Name: 5-(2-diethylaminoethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate IUPAC Name: 5-(2-diethylaminoethyl)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrate Traditional Name: 5-(2-diethylaminoethyl)-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone hydrate Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OCC.O

Isomeric SMILES

CCN(CC)CCC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OCC.O

InChI

InChI=1S/C18H25N3O3S.H2O/c1-4-20(5-2)12-11-15-16(22)19-18(25)21(17(15)23)13-7-9-14(10-8-13)24-6-3;/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,22,25);1H2