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

Systemtic Name: N2-[(4-methylphenyl)methyl]-5-nitro-N4-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Openeye Name: 5-nitro-N2-(p-tolylmethyl)-N4-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4,6-triamine CAS Name: N2-[(4-methylphenyl)methyl]-5-nitro-N4-[[(2R)-2-oxolanyl]methyl]pyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-methylphenyl)methyl]-5-nitro-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NCC3CCCO3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC[C@H]3CCCO3)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N6O3/c1-11-4-6-12(7-5-11)9-20-17-21-15(18)14(23(24)25)16(22-17)19-10-13-3-2-8-26-13/h4-7,13H,2-3,8-10H2,1H3,(H4,18,19,20,21,22)/t13-/m1/s1