6-azanyl-1-butyl-5-[(4-nitrophenyl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-butyl-5-[(4-nitrophenyl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[(4-nitrophenyl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[benzyl-(4-nitrobenzyl)amino]-1-butyl-pyrimidine-2,4-quinone Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C22H25N5O4/c1-2-3-13-26-20(23)19(21(28)24-22(26)29)25(14-16-7-5-4-6-8-16)15-17-9-11-18(12-10-17)27(30)31/h4-12H,2-3,13-15,23H2,1H3,(H,24,28,29)