N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-5-nitro-benzothiophene-2-carboxamide Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-4-5-8-24(17-18(22)25(11-12(2)3)21(29)23-19(17)27)20(28)16-10-13-9-14(26(30)31)6-7-15(13)32-16/h6-7,9-10,12H,4-5,8,11,22H2,1-3H3,(H,23,27,29)