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

Systemtic Name: 1-(phenylmethyl)-5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5,5-bis[2-(4-pyridyl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(phenylmethyl)-5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5,5-bis(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5,5-bis[2-(4-pyridyl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=S)(CCC3=CC=NC=C3)CCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=S)(CCC3=CC=NC=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C25H24N4O2S/c30-22-25(12-6-19-8-14-26-15-9-19,13-7-20-10-16-27-17-11-20)23(31)29(24(32)28-22)18-21-4-2-1-3-5-21/h1-5,8-11,14-17H,6-7,12-13,18H2,(H,28,30,32)