5-[(azepan-1-ylamino)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(azepan-1-ylamino)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(azepan-1-ylamino)methylene]-1-(2-furylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(1-azepanylamino)methylidene]-1-(2-furanylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(azepan-1-ylamino)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(azepan-1-ylamino)methylene]-1-(2-furfuryl)barbituric acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CO3

InChI

InChI=1S/C16H20N4O4/c21-14-13(10-17-19-7-3-1-2-4-8-19)15(22)20(16(23)18-14)11-12-6-5-9-24-12/h5-6,9-10,17H,1-4,7-8,11H2,(H,18,21,23)