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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propanamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-(2-nitroanilino)propanamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propanamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-3-(2-nitroanilino)propionamide Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O5/c1-3-5-13-24(17-18(21)25(12-4-2)20(29)23-19(17)28)16(27)10-11-22-14-8-6-7-9-15(14)26(30)31/h6-9,22H,3-5,10-13,21H2,1-2H3,(H,23,28,29)