5-[[8-ethoxy-4-(3-fluorophenyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[8-ethoxy-4-(3-fluorophenyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-ethoxy-4-(3-fluorophenyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-ethoxy-4-(3-fluorophenyl)-2,2-dimethyl-1-benzopyran-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[8-ethoxy-4-(3-fluorophenyl)-2,2-dimethylchromen-6-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-ethoxy-4-(3-fluorophenyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C24H25FN4O2 MolecularWeight: 420.479303

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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)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H25FN4O2/c1-4-30-20-10-14(8-16-13-28-23(27)29-22(16)26)9-18-19(12-24(2,3)31-21(18)20)15-6-5-7-17(25)11-15/h5-7,9-13H,4,8H2,1-3H3,(H4,26,27,28,29)