5-[[2,4-bis(fluoranylmethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[2,4-bis(fluoranylmethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2,4-bis(fluoromethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2,4-bis(fluoromethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2,4-bis(fluoromethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2,4-bis(fluoromethyl)-8-methoxy-2-methyl-1H-quinolin-6-yl]methyl]pyrimidin-4-yl]amine Formula: C18H21F2N5O MolecularWeight: 361.389046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2N1)OC)CC3=CN=C(N=C3N)N)CF)CF

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2N1)OC)CC3=CN=C(N=C3N)N)CF)CF

InChI

InChI=1S/C18H21F2N5O/c1-18(9-20)6-12(7-19)13-4-10(5-14(26-2)15(13)25-18)3-11-8-23-17(22)24-16(11)21/h4-6,8,25H,3,7,9H2,1-2H3,(H4,21,22,23,24)