5-[(2,2,4-trimethyl-8-methylsulfinyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(2,2,4-trimethyl-8-methylsulfinyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2,2,4-trimethyl-8-methylsulfinyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(2,2,4-trimethyl-8-methylsulfinyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(2,2,4-trimethyl-8-methylsulfinyl-1H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2,2,4-trimethyl-8-methylsulfinyl-1H-quinolin-6-yl)methyl]pyrimidin-4-yl]amine Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C(C=C(C=C12)CC3=CN=C(N=C3N)N)S(=O)C)(C)C

Isomeric SMILES

CC1=CC(NC2=C(C=C(C=C12)CC3=CN=C(N=C3N)N)S(=O)C)(C)C

InChI

InChI=1S/C18H23N5OS/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)25(4)24)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)