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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(4-nitrophenyl)thio]propionamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-5-6-11-24(17-18(22)25(12-13(2)3)21(29)23-19(17)27)20(28)14(4)32-16-9-7-15(8-10-16)26(30)31/h7-10,13-14H,5-6,11-12,22H2,1-4H3,(H,23,27,29)