2-azanyl-6-methyl-5-[3-[(3-nitrophenyl)methylamino]propyl]-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-6-methyl-5-[3-[(3-nitrophenyl)methylamino]propyl]-1H-pyrimidin-4-one Openeye Name: 2-amino-6-methyl-5-[3-[(3-nitrophenyl)methylamino]propyl]-1H-pyrimidin-4-one CAS Name: 2-amino-6-methyl-5-[3-[(3-nitrophenyl)methylamino]propyl]-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-methyl-5-[3-[(3-nitrophenyl)methylamino]propyl]-1H-pyrimidin-4-one Traditional Name: 2-amino-6-methyl-5-[3-[(3-nitrobenzyl)amino]propyl]-1H-pyrimidin-4-one Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3/c1-10-13(14(21)19-15(16)18-10)6-3-7-17-9-11-4-2-5-12(8-11)20(22)23/h2,4-5,8,17H,3,6-7,9H2,1H3,(H3,16,18,19,21)