N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-nitrophenyl)sulfanyl-N-pentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-nitrophenyl)sulfanyl-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-nitrophenyl)sulfanyl-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-[(4-nitrophenyl)thio]-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-nitrophenyl)sulfanyl-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-[(4-nitrophenyl)thio]acetamide Formula: C21H29N5O5S MolecularWeight: 463.55046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-3-5-7-13-24(17(27)14-32-16-10-8-15(9-11-16)26(30)31)18-19(22)25(12-6-4-2)21(29)23-20(18)28/h8-11H,3-7,12-14,22H2,1-2H3,(H,23,28,29)