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

Systemtic Name: 2-azanyl-6-methyl-5-[3-[(4-nitrophenyl)amino]propyl]-1H-pyrimidin-4-one Openeye Name: 2-amino-6-methyl-5-[3-(4-nitroanilino)propyl]-1H-pyrimidin-4-one CAS Name: 2-amino-6-methyl-5-[3-(4-nitroanilino)propyl]-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-methyl-5-[3-(4-nitroanilino)propyl]-1H-pyrimidin-4-one Traditional Name: 2-amino-6-methyl-5-[3-(4-nitroanilino)propyl]-1H-pyrimidin-4-one Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3/c1-9-12(13(20)18-14(15)17-9)3-2-8-16-10-4-6-11(7-5-10)19(21)22/h4-7,16H,2-3,8H2,1H3,(H3,15,17,18,20)