1-[(2S)-butan-2-yl]-5-[(3-oxidanylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(2S)-butan-2-yl]-5-[(3-oxidanylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-hydroxypropylamino)methylene]-1-[(1S)-1-methylpropyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(2S)-butan-2-yl]-5-[(3-hydroxypropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(2S)-butan-2-yl]-5-[(3-hydroxypropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-hydroxypropylamino)methylene]-1-[(1S)-1-methylpropyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNCCCO)C(=O)NC1=S

Isomeric SMILES

CC[C@H](C)N1C(=O)C(=CNCCCO)C(=O)NC1=S

InChI

InChI=1S/C12H19N3O3S/c1-3-8(2)15-11(18)9(7-13-5-4-6-16)10(17)14-12(15)19/h7-8,13,16H,3-6H2,1-2H3,(H,14,17,19)/t8-/m0/s1