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

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: dibenzyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C27H26N4O3 MolecularWeight: 454.52034

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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(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c1-20(2)23-13-15-24(16-14-23)34-27-25(31(32)33)26(28-19-29-27)30(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16,19-20H,17-18H2,1-2H3