N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-[(2-nitrophenyl)amino]-N-pentyl-propanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-[(2-nitrophenyl)amino]-N-pentyl-propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-(2-nitroanilino)-N-pentyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(2-nitroanilino)-N-pentylpropanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2-nitroanilino)-N-pentylpropanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-3-(2-nitroanilino)propionamide Formula: C22H32N6O5 MolecularWeight: 460.52668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O5/c1-3-5-9-15-26(19-20(23)27(14-6-4-2)22(31)25-21(19)30)18(29)12-13-24-16-10-7-8-11-17(16)28(32)33/h7-8,10-11,24H,3-6,9,12-15,23H2,1-2H3,(H,25,30,31)