5-(cycloheptyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(cycloheptyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(cycloheptyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(cycloheptyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(cycloheptyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(cycloheptyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N=CC2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1CCCC(CC1)N=CC2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C12H17N3O2S/c16-10-9(11(17)15-12(18)14-10)7-13-8-5-3-1-2-4-6-8/h7-9H,1-6H2,(H2,14,15,16,17,18)