N-methyl-5-nitro-N-(phenylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-methyl-5-nitro-N-(phenylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-isopropylphenoxy)-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-methyl-5-nitro-N-(phenylmethyl)-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-benzyl-N-methyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: benzyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-15(2)17-9-11-18(12-10-17)28-21-19(25(26)27)20(22-14-23-21)24(3)13-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3