6-[(5-methylfuran-2-yl)methoxymethyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-[(5-methylfuran-2-yl)methoxymethyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-[(5-methyl-2-furyl)methoxymethyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine CAS Name: 6-[(5-methyl-2-furanyl)methoxymethyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-[(5-methylfuran-2-yl)methoxymethyl]-5-[4-[(4-methylsulfonylphenyl)methylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-[2,4-diamino-6-[(5-methyl-2-furyl)methoxymethyl]pyrimidin-5-yl]phenyl]-(4-mesylbenzyl)amine Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(O1)COCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H27N5O4S/c1-16-3-10-20(34-16)14-33-15-22-23(24(26)30-25(27)29-22)18-6-8-19(9-7-18)28-13-17-4-11-21(12-5-17)35(2,31)32/h3-12,28H,13-15H2,1-2H3,(H4,26,27,29,30)