5-[(4-butoxy-3,5-dipropyl-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[(4-butoxy-3,5-dipropyl-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[(4-butoxy-3,5-dipropyl-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[(4-butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[(4-butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-(4-butoxy-3,5-dipropyl-benzyl)pyrimidin-4-yl]amine hydrochloride Formula: C21H33ClN4O MolecularWeight: 392.96592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1CCC)CC2=CN=C(N=C2N)N)CCC.Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1CCC)CC2=CN=C(N=C2N)N)CCC.Cl

InChI

InChI=1S/C21H32N4O.ClH/c1-4-7-10-26-19-16(8-5-2)11-15(12-17(19)9-6-3)13-18-14-24-21(23)25-20(18)22;/h11-12,14H,4-10,13H2,1-3H3,(H4,22,23,24,25);1H