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

Systemtic Name: 1-[(2S)-butan-2-yl]-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(1S)-1-methylpropyl]-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(2S)-butan-2-yl]-5-[(3-pyridinylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(2S)-butan-2-yl]-5-[(pyridin-3-ylmethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[(1S)-1-methylpropyl]-5-[(3-pyridylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNCC2=CN=CC=C2)C(=O)NC1=S

Isomeric SMILES

CC[C@H](C)N1C(=O)C(=CNCC2=CN=CC=C2)C(=O)NC1=S

InChI

InChI=1S/C15H18N4O2S/c1-3-10(2)19-14(21)12(13(20)18-15(19)22)9-17-8-11-5-4-6-16-7-11/h4-7,9-10,17H,3,8H2,1-2H3,(H,18,20,22)/t10-/m0/s1