5-[(E)-but-2-enyl]-5-(2-methylpropyl)-2-sulfanyl-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(E)-but-2-enyl]-5-(2-methylpropyl)-2-sulfanyl-1,3-diazinane-4,6-dione Openeye Name: 5-[(E)-but-2-enyl]-5-isobutyl-2-sulfanyl-hexahydropyrimidine-4,6-dione CAS Name: 5-[(E)-but-2-enyl]-2-mercapto-5-(2-methylpropyl)-1,3-diazinane-4,6-dione IUPAC Name: 5-[(E)-but-2-enyl]-5-(2-methylpropyl)-2-sulfanyl-1,3-diazinane-4,6-dione Traditional Name: 5-[(E)-but-2-enyl]-5-isobutyl-2-mercapto-hexahydropyrimidine-4,6-quinone Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1(C(=O)NC(NC1=O)S)CC(C)C

Isomeric SMILES

C/C=C/CC1(C(=O)NC(NC1=O)S)CC(C)C

InChI

InChI=1S/C12H20N2O2S/c1-4-5-6-12(7-8(2)3)9(15)13-11(17)14-10(12)16/h4-5,8,11,17H,6-7H2,1-3H3,(H,13,15)(H,14,16)/b5-4+