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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(4-nitrophenyl)thio]acetamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5S/c1-3-5-11-23(16(26)13-31-15-9-7-14(8-10-15)25(29)30)17-18(21)24(12-6-4-2)20(28)22-19(17)27/h7-10H,3-6,11-13,21H2,1-2H3,(H,22,27,28)