N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(benzotriazol-1-yl)-N-cyclopentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(benzotriazol-1-yl)-N-cyclopentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-cyclopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-benzotriazolyl)-N-cyclopentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-cyclopentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(benzotriazol-1-yl)-N-cyclopentyl-acetamide Formula: C21H27N7O3 MolecularWeight: 425.48418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CN3C4=CC=CC=C4N=N3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)CN3C4=CC=CC=C4N=N3)N

InChI

InChI=1S/C21H27N7O3/c1-2-3-12-26-19(22)18(20(30)23-21(26)31)28(14-8-4-5-9-14)17(29)13-27-16-11-7-6-10-15(16)24-25-27/h6-7,10-11,14H,2-5,8-9,12-13,22H2,1H3,(H,23,30,31)