1-cyclopropyl-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-cyclopropyl-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-cyclopropyl-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-cyclopropyl-5-(3-pyridinylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-cyclopropyl-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-cyclopropyl-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C(C(=O)NC2=S)C=NCC3=CN=CC=C3

Isomeric SMILES

C1CC1N2C(=O)C(C(=O)NC2=S)C=NCC3=CN=CC=C3

InChI

InChI=1S/C14H14N4O2S/c19-12-11(8-16-7-9-2-1-5-15-6-9)13(20)18(10-3-4-10)14(21)17-12/h1-2,5-6,8,10-11H,3-4,7H2,(H,17,19,21)