5-[(4-bromanyl-8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(4-bromanyl-8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(4-bromo-8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(4-bromo-8-ethoxy-2,2-dimethyl-1-benzopyran-6-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(4-bromo-8-ethoxy-2,2-dimethylchromen-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(4-bromo-8-ethoxy-2,2-dimethyl-chromen-6-yl)methyl]pyrimidin-4-yl]amine Formula: C18H21BrN4O2 MolecularWeight: 405.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)Br

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)Br

InChI

InChI=1S/C18H21BrN4O2/c1-4-24-14-7-10(5-11-9-22-17(21)23-16(11)20)6-12-13(19)8-18(2,3)25-15(12)14/h6-9H,4-5H2,1-3H3,(H4,20,21,22,23)