N2-(cyclohexyloxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(cyclohexyloxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Openeye Name: N2-(cyclohexoxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine CAS Name: N2-(cyclohexyloxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(cyclohexyloxymethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]-(cyclohexoxymethyl)amine Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NCOC3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NCOC3CCCCC3

InChI

InChI=1S/C21H30N4O4/c1-26-17-10-14(11-18(27-2)19(17)28-3)9-15-12-23-21(25-20(15)22)24-13-29-16-7-5-4-6-8-16/h10-12,16H,4-9,13H2,1-3H3,(H3,22,23,24,25)