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

Systemtic Name: 5-[(3,4-dimethoxy-5-prop-2-enoxy-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[(3-allyloxy-4,5-dimethoxy-phenyl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[(3,4-dimethoxy-5-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[(3,4-dimethoxy-5-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [5-(3-allyloxy-4,5-dimethoxy-benzyl)-2-amino-pyrimidin-4-yl]amine hydrochloride Formula: C16H21ClN4O3 MolecularWeight: 352.81594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC=C)OC.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCC=C)OC.Cl

InChI

InChI=1S/C16H20N4O3.ClH/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17;/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20);1H