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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(2-nitrophenyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-(2-nitrophenyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-(2-nitrophenyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-nitrophenyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-(2-nitrophenyl)acetamide Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CC2=CC=CC=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CC2=CC=CC=C2[N+](=O)[O-])N

InChI

InChI=1S/C20H27N5O5/c1-3-5-11-23(16(26)13-14-9-7-8-10-15(14)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)