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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-2-[(4-nitrophenyl)thio]acetamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H21N5O5S/c1-3-4-9-21-15(18)14(16(24)19-17(21)25)20(2)13(23)10-28-12-7-5-11(6-8-12)22(26)27/h5-8H,3-4,9-10,18H2,1-2H3,(H,19,24,25)