4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate; 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate; 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-allyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-dione; 4,6-dioxo-1H-pyrimidin-2-olate CAS Name: 4,6-dioxo-1H-pyrimidin-2-olate; 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 4,6-dioxo-1H-pyrimidin-2-olate; 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-allyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-quinone; 4,6-diketo-1H-pyrimidin-2-olate Formula: C16H21N4O5S- MolecularWeight: 381.42674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C.C1C(=O)NC(=NC1=O)[O-]

Isomeric SMILES

CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C.C1C(=O)NC(=NC1=O)[O-]

InChI

InChI=1S/C12H18N2O2S.C4H4N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;7-2-1-3(8)6-4(9)5-2/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);1H2,(H2,5,6,7,8,9)/p-1