5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1,3-bis(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-(1-imidazolyl)propylamino]methylidene]-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-imidazol-1-ylpropylamino)methylidene]-1,3-bis(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-imidazol-1-ylpropylamino)methylene]-1,3-bis(2-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H25N5O4S MolecularWeight: 491.5621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)N(C2=S)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=CNCCCN3C=CN=C3)C(=O)N(C2=S)C4=CC=CC=C4OC

InChI

InChI=1S/C25H25N5O4S/c1-33-21-10-5-3-8-19(21)29-23(31)18(16-26-12-7-14-28-15-13-27-17-28)24(32)30(25(29)35)20-9-4-6-11-22(20)34-2/h3-6,8-11,13,15-17,26H,7,12,14H2,1-2H3