5-[(azepan-1-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-cyclopropyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-azepanylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-cyclopropyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3CC3

InChI

InChI=1S/C14H20N4O2S/c19-12-11(9-15-17-7-3-1-2-4-8-17)13(20)18(10-5-6-10)14(21)16-12/h9-10,15H,1-8H2,(H,16,19,21)