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

Systemtic Name: (5S)-1-[(2S)-butan-2-yl]-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-[(1S)-1-methylpropyl]-5-(3-pyridylmethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-[(2S)-butan-2-yl]-5-(3-pyridinylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-[(2S)-butan-2-yl]-5-(pyridin-3-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-[(1S)-1-methylpropyl]-5-(3-pyridylmethyliminomethyl)-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(C(=O)NC1=S)C=NCC2=CN=CC=C2

Isomeric SMILES

CC[C@H](C)N1C(=O)[C@H](C(=O)NC1=S)C=NCC2=CN=CC=C2

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/h4-7,9-10,12H,3,8H2,1-2H3,(H,18,20,22)/t10-,12-/m0/s1