5-[(6-oxidanyl-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)-pyridin-4-yl-methyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(6-oxidanyl-4-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)-pyridin-4-yl-methyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(1-allyl-6-hydroxy-4-oxo-2-thioxo-hexahydropyrimidin-5-yl)-(4-pyridyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)-pyridin-4-ylmethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(6-hydroxy-4-oxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-yl)-pyridin-4-ylmethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[(1-allyl-6-hydroxy-4-keto-2-thioxo-hexahydropyrimidin-5-yl)-(4-pyridyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(C(C(=O)NC1=S)C(C2C(=O)NC(=S)N(C2=O)CC=C)C3=CC=NC=C3)O

Isomeric SMILES

C=CCN1C(C(C(=O)NC1=S)C(C2C(=O)NC(=S)N(C2=O)CC=C)C3=CC=NC=C3)O

InChI

InChI=1S/C20H21N5O4S2/c1-3-9-24-17(28)13(15(26)22-19(24)30)12(11-5-7-21-8-6-11)14-16(27)23-20(31)25(10-4-2)18(14)29/h3-8,12-14,17,28H,1-2,9-10H2,(H,22,26,30)(H,23,27,31)