2-azanyl-6-[methyl-(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-6-[methyl-(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 2-amino-6-[benzyl(methyl)amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-6-[methyl-(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-[benzyl(methyl)amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-6-[benzyl(methyl)amino]-5-nitro-1H-pyrimidin-4-one Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3/c1-16(7-8-5-3-2-4-6-8)10-9(17(19)20)11(18)15-12(13)14-10/h2-6H,7H2,1H3,(H3,13,14,15,18)