(5S)-5-(2-hydroxyethyliminomethyl)-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(2-hydroxyethyliminomethyl)-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-benzyl-5-(2-hydroxyethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-(2-hydroxyethyliminomethyl)-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-benzyl-5-(2-hydroxyethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-benzyl-5-(2-hydroxyethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(C(=O)NC2=S)C=NCCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)[C@H](C(=O)NC2=S)C=NCCO

InChI

InChI=1S/C14H15N3O3S/c18-7-6-15-8-11-12(19)16-14(21)17(13(11)20)9-10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,16,19,21)/t11-/m0/s1