N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N5O3/c1-24(13-16-6-4-3-5-7-16)20-18(25(26)27)19(22-14-23-20)21-12-15-8-10-17(28-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,23)