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

Systemtic Name: 1,3-bis(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-bis(3-pyridylmethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(3-pyridinylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-bis(3-pyridylmethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=S)N(C1=O)CC2=CN=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1C(=O)N(C(=S)N(C1=O)CC2=CN=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C16H14N4O2S/c21-14-7-15(22)20(11-13-4-2-6-18-9-13)16(23)19(14)10-12-3-1-5-17-8-12/h1-6,8-9H,7,10-11H2