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

Systemtic Name: 6-azanyl-1-butyl-5-[(2-methoxy-5-nitro-phenyl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[benzyl-[(2-methoxy-5-nitro-phenyl)methyl]amino]-1-butyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-butyl-5-[(2-methoxy-5-nitrophenyl)methyl-(phenylmethyl)amino]pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[benzyl-[(2-methoxy-5-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[benzyl-(2-methoxy-5-nitro-benzyl)amino]-1-butyl-pyrimidine-2,4-quinone Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5/c1-3-4-12-27-21(24)20(22(29)25-23(27)30)26(14-16-8-6-5-7-9-16)15-17-13-18(28(31)32)10-11-19(17)33-2/h5-11,13H,3-4,12,14-15,24H2,1-2H3,(H,25,29,30)