5-(azepan-1-ylmethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 5-(azepan-1-ylmethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid Openeye Name: 5-(azepan-1-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 5-(1-azepanylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 5-(azepan-1-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 5-(azepan-1-ylmethyl)-2,4-diketo-1H-pyrimidine-6-carboxylic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(NC(=O)NC2=O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(NC(=O)NC2=O)C(=O)O

InChI

InChI=1S/C12H17N3O4/c16-10-8(7-15-5-3-1-2-4-6-15)9(11(17)18)13-12(19)14-10/h1-7H2,(H,17,18)(H2,13,14,16,19)