5-[(3-methoxy-4-nonoxy-phenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(3-methoxy-4-nonoxy-phenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(3-methoxy-4-nonoxy-phenyl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(3-methoxy-4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(3-methoxy-4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3-methoxy-4-nonoxy-benzyl)pyrimidin-4-yl]amine Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC

InChI

InChI=1S/C21H32N4O2/c1-3-4-5-6-7-8-9-12-27-18-11-10-16(14-19(18)26-2)13-17-15-24-21(23)25-20(17)22/h10-11,14-15H,3-9,12-13H2,1-2H3,(H4,22,23,24,25)