5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine ethanoate

Systemtic Name: 5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine ethanoate Openeye Name: 5-[(4-benzyloxyphenyl)methyl]pyrimidine-2,4-diamine acetate CAS Name: 5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine acetate IUPAC Name: 5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine acetate Traditional Name: [2-amino-5-(4-benzoxybenzyl)pyrimidin-4-yl]amine acetate Formula: C20H21N4O3- MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C18H18N4O.C2H4O2/c19-17-15(11-21-18(20)22-17)10-13-6-8-16(9-7-13)23-12-14-4-2-1-3-5-14;1-2(3)4/h1-9,11H,10,12H2,(H4,19,20,21,22);1H3,(H,3,4)/p-1