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

Systemtic Name: 5-[[4-(3-fluorophenyl)-8-methoxy-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-fluorophenyl)-8-methoxy-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-fluorophenyl)-8-methoxy-2,2-dimethyl-1-benzopyran-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-fluorophenyl)-8-methoxy-2,2-dimethylchromen-6-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[4-(3-fluorophenyl)-8-methoxy-2,2-dimethyl-chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C23H23FN4O2/c1-23(2)11-18(14-5-4-6-16(24)10-14)17-8-13(9-19(29-3)20(17)30-23)7-15-12-27-22(26)28-21(15)25/h4-6,8-12H,7H2,1-3H3,(H4,25,26,27,28)