N2-(4-ethoxyphenyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine

Systemtic Name: N2-(4-ethoxyphenyl)-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: N2-(4-ethoxyphenyl)-5-nitro-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-(4-ethoxyphenyl)-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-(4-ethoxyphenyl)-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-nitro-2-(p-phenetidino)pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC[C@H]3CCCO3)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N6O4/c1-2-26-12-7-5-11(6-8-12)20-17-21-15(18)14(23(24)25)16(22-17)19-10-13-4-3-9-27-13/h5-8,13H,2-4,9-10H2,1H3,(H4,18,19,20,21,22)/t13-/m1/s1