6-azanyl-5-[3-methylbutyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[3-methylbutyl-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-isopentyl-amino]pyrimidine-2,4-dione CAS Name: 6-amino-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-(3-methylbutyl)amino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-(3-methylbutyl)amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-isoamyl-amino]pyrimidine-2,4-quinone Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(COC1=CC=CC(=C1)[N+](=O)[O-])O)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CCN(CC(COC1=CC=CC(=C1)[N+](=O)[O-])O)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C25H31N5O6/c1-17(2)11-12-28(15-20(31)16-36-21-10-6-9-19(13-21)30(34)35)22-23(26)29(25(33)27-24(22)32)14-18-7-4-3-5-8-18/h3-10,13,17,20,31H,11-12,14-16,26H2,1-2H3,(H,27,32,33)