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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(NCC1=CC=CC=C1)NC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC(NCC1=CC=CC=C1)NC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-2-3-9-12(18-10-11-7-5-4-6-8-11)19-14-13(22(24)25)15(23)21-16(17)20-14/h4-8,12,18H,2-3,9-10H2,1H3,(H4,17,19,20,21,23)