(5R)-1-(2,5-dimethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-(2,5-dimethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-(2,5-dimethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(2,5-dimethoxyphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(2,5-dimethoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-(2,5-dimethoxyphenyl)-5-(2-piperazinoethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)[C@@H](C(=O)NC2=S)C=NCCN3CCNCC3

InChI

InChI=1S/C19H25N5O4S/c1-27-13-3-4-16(28-2)15(11-13)24-18(26)14(17(25)22-19(24)29)12-21-7-10-23-8-5-20-6-9-23/h3-4,11-12,14,20H,5-10H2,1-2H3,(H,22,25,29)/t14-/m1/s1