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

Systemtic Name: 5-[(2,2-dimethyl-7-propyl-3H-1-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2,2-dimethyl-7-propyl-3H-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(2,2-dimethyl-7-propyl-3H-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(2,2-dimethyl-7-propyl-3H-1-benzofuran-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2,2-dimethyl-7-propyl-coumaran-5-yl)methyl]pyrimidin-4-yl]amine Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/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)