2,6-bis(azanyl)-5-(1-nitro-4-phenyl-butan-2-yl)-1H-pyrimidin-4-one

Systemtic Name: 2,6-bis(azanyl)-5-(1-nitro-4-phenyl-butan-2-yl)-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[1-(nitromethyl)-3-phenyl-propyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-(1-nitro-4-phenylbutan-2-yl)-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-(1-nitro-4-phenylbutan-2-yl)-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[1-(nitromethyl)-3-phenyl-propyl]-1H-pyrimidin-4-one Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C[N+](=O)[O-])C2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C[N+](=O)[O-])C2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H17N5O3/c15-12-11(13(20)18-14(16)17-12)10(8-19(21)22)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H5,15,16,17,18,20)