5-[(3-butyl-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[(3-butyl-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[(3-butyl-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[(3-butyl-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[(3-butyl-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-(3-butyl-4,5-dimethoxy-benzyl)pyrimidin-4-yl]amine hydrochloride Formula: C17H25ClN4O2 MolecularWeight: 352.859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OC)OC.Cl

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OC)OC.Cl

InChI

InChI=1S/C17H24N4O2.ClH/c1-4-5-6-12-7-11(9-14(22-2)15(12)23-3)8-13-10-20-17(19)21-16(13)18;/h7,9-10H,4-6,8H2,1-3H3,(H4,18,19,20,21);1H