5-[(3,5-dimethoxy-4-prop-1-en-2-yl-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[(3,5-dimethoxy-4-prop-1-en-2-yl-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[(4-isopropenyl-3,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[[3,5-dimethoxy-4-(1-methylethenyl)phenyl]methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[(3,5-dimethoxy-4-prop-1-en-2-ylphenyl)methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-(4-isopropenyl-3,5-dimethoxy-benzyl)pyrimidin-4-yl]amine hydrochloride Formula: C16H21ClN4O2 MolecularWeight: 336.81654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC.Cl

Isomeric SMILES

CC(=C)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC.Cl

InChI

InChI=1S/C16H20N4O2.ClH/c1-9(2)14-12(21-3)6-10(7-13(14)22-4)5-11-8-19-16(18)20-15(11)17;/h6-8H,1,5H2,2-4H3,(H4,17,18,19,20);1H