2-azanyl-5-nitro-6-(3-phenylpropylamino)-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-nitro-6-(3-phenylpropylamino)-1H-pyrimidin-4-one Openeye Name: 2-amino-5-nitro-6-(3-phenylpropylamino)-1H-pyrimidin-4-one CAS Name: 2-amino-5-nitro-6-(3-phenylpropylamino)-1H-pyrimidin-4-one IUPAC Name: 2-amino-5-nitro-6-(3-phenylpropylamino)-1H-pyrimidin-4-one Traditional Name: 2-amino-5-nitro-6-(3-phenylpropylamino)-1H-pyrimidin-4-one Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3/c14-13-16-11(10(18(20)21)12(19)17-13)15-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,14,15,16,17,19)