5-[(2,2-dimethyl-7-propyl-3H-1-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[(2,2-dimethyl-7-propyl-3H-1-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[(2,2-dimethyl-7-propyl-3H-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[(2,2-dimethyl-7-propyl-3H-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[(2,2-dimethyl-7-propyl-3H-1-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-[(2,2-dimethyl-7-propyl-coumaran-5-yl)methyl]pyrimidin-4-yl]amine hydrochloride Formula: C18H25ClN4O MolecularWeight: 348.8703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)CC(O2)(C)C.Cl

Isomeric SMILES

CCCC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)CC(O2)(C)C.Cl

InChI

InChI=1S/C18H24N4O.ClH/c1-4-5-12-6-11(7-13-9-18(2,3)23-15(12)13)8-14-10-21-17(20)22-16(14)19;/h6-7,10H,4-5,8-9H2,1-3H3,(H4,19,20,21,22);1H