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

Systemtic Name: 2-azanyl-5-nitro-6-[[(2S)-2-[(phenylmethyl)amino]pentyl]amino]-1H-pyrimidin-4-one Openeye Name: 2-amino-6-[[(2S)-2-(benzylamino)pentyl]amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-5-nitro-6-[[(2S)-2-[(phenylmethyl)amino]pentyl]amino]-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-[[(2S)-2-(benzylamino)pentyl]amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-6-[[(2S)-2-(benzylamino)pentyl]amino]-5-nitro-1H-pyrimidin-4-one Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC1=C(C(=O)N=C(N1)N)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H](CNC1=C(C(=O)N=C(N1)N)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C16H22N6O3/c1-2-6-12(18-9-11-7-4-3-5-8-11)10-19-14-13(22(24)25)15(23)21-16(17)20-14/h3-5,7-8,12,18H,2,6,9-10H2,1H3,(H4,17,19,20,21,23)/t12-/m0/s1