6-azanyl-5-[3-methylbutyl-[(2-nitrophenyl)methyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[3-methylbutyl-[(2-nitrophenyl)methyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-5-[isopentyl-[(2-nitrophenyl)methyl]amino]pyrimidine-2,4-dione CAS Name: 6-amino-5-[3-methylbutyl-[(2-nitrophenyl)methyl]amino]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-5-[3-methylbutyl-[(2-nitrophenyl)methyl]amino]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[isoamyl-(2-nitrobenzyl)amino]pyrimidine-2,4-quinone Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=CC=C1[N+](=O)[O-])C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CCN(CC1=CC=CC=C1[N+](=O)[O-])C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N5O4/c1-16(2)12-13-26(15-18-10-6-7-11-19(18)28(31)32)20-21(24)27(23(30)25-22(20)29)14-17-8-4-3-5-9-17/h3-11,16H,12-15,24H2,1-2H3,(H,25,29,30)