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

Systemtic Name: (5R)-1-(2-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-(2-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(2-methoxyphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(2-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-(2-methoxyphenyl)-5-(2-piperazinoethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCCN3CCNCC3

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=S)C=NCCN3CCNCC3

InChI

InChI=1S/C18H23N5O3S/c1-26-15-5-3-2-4-14(15)23-17(25)13(16(24)21-18(23)27)12-20-8-11-22-9-6-19-7-10-22/h2-5,12-13,19H,6-11H2,1H3,(H,21,24,27)/t13-/m1/s1