5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5,5-bis[2-(4-pyridyl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5,5-bis[2-(4-pyridyl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCC2(C(=O)NC(=S)NC2=O)CCC3=CC=NC=C3

Isomeric SMILES

C1=CN=CC=C1CCC2(C(=O)NC(=S)NC2=O)CCC3=CC=NC=C3

InChI

InChI=1S/C18H18N4O2S/c23-15-18(16(24)22-17(25)21-15,7-1-13-3-9-19-10-4-13)8-2-14-5-11-20-12-6-14/h3-6,9-12H,1-2,7-8H2,(H2,21,22,23,24,25)