2-azanyl-5-nitro-6-[[(2R)-3-oxidanyl-2-[(phenylmethyl)amino]propyl]amino]-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-5-nitro-6-[[(2R)-3-oxidanyl-2-[(phenylmethyl)amino]propyl]amino]-1H-pyrimidin-4-one Openeye Name: 2-amino-6-[[(2R)-2-(benzylamino)-3-hydroxy-propyl]amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-6-[[(2R)-3-hydroxy-2-[(phenylmethyl)amino]propyl]amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-[[(2R)-2-(benzylamino)-3-hydroxypropyl]amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-6-[[(2R)-2-(benzylamino)-3-hydroxy-propyl]amino]-5-nitro-1H-pyrimidin-4-one Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CNC2=C(C(=O)N=C(N2)N)[N+](=O)[O-])CO

Isomeric SMILES

C1=CC=C(C=C1)CN[C@H](CNC2=C(C(=O)N=C(N2)N)[N+](=O)[O-])CO

InChI

InChI=1S/C14H18N6O4/c15-14-18-12(11(20(23)24)13(22)19-14)17-7-10(8-21)16-6-9-4-2-1-3-5-9/h1-5,10,16,21H,6-8H2,(H4,15,17,18,19,22)/t10-/m1/s1