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

Systemtic Name: 2-azanyl-6-[2,2-diethoxyethyl-(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 2-amino-6-[benzyl(2,2-diethoxyethyl)amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-6-[2,2-diethoxyethyl-(phenylmethyl)amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-[benzyl(2,2-diethoxyethyl)amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-6-[benzyl(2,2-diethoxyethyl)amino]-5-nitro-1H-pyrimidin-4-one Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O5/c1-3-26-13(27-4-2)11-21(10-12-8-6-5-7-9-12)15-14(22(24)25)16(23)20-17(18)19-15/h5-9,13H,3-4,10-11H2,1-2H3,(H3,18,19,20,23)