(5E)-1-(4-methoxyphenyl)-5-[(2-piperazin-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-methoxyphenyl)-5-[(2-piperazin-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-methoxyphenyl)-5-[(2-piperazin-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-methoxyphenyl)-5-[[2-(1-piperazinyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-methoxyphenyl)-5-[(2-piperazin-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-methoxyphenyl)-5-[(2-piperazinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CNCCN3CCNCC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C/NCCN3CCNCC3)/C(=O)NC2=S

InChI

InChI=1S/C18H23N5O3S/c1-26-14-4-2-13(3-5-14)23-17(25)15(16(24)21-18(23)27)12-20-8-11-22-9-6-19-7-10-22/h2-5,12,19-20H,6-11H2,1H3,(H,21,24,27)/b15-12+