N4,N4-bis(2-methoxyethyl)-2-methyl-N6-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4,N4-bis(2-methoxyethyl)-2-methyl-N6-(2-methylsulfanyl-4-propan-2-yl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(4-isopropyl-2-methylsulfanyl-phenyl)-N4,N4-bis(2-methoxyethyl)-2-methyl-pyrimidine-4,5,6-triamine CAS Name: N4,N4-bis(2-methoxyethyl)-2-methyl-N6-[2-(methylthio)-4-propan-2-ylphenyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N,4-N-bis(2-methoxyethyl)-2-methyl-6-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[4-isopropyl-2-(methylthio)anilino]-2-methyl-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C21H33N5O2S MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N(CCOC)CCOC)N)NC2=C(C=C(C=C2)C(C)C)SC

Isomeric SMILES

CC1=NC(=C(C(=N1)N(CCOC)CCOC)N)NC2=C(C=C(C=C2)C(C)C)SC

InChI

InChI=1S/C21H33N5O2S/c1-14(2)16-7-8-17(18(13-16)29-6)25-20-19(22)21(24-15(3)23-20)26(9-11-27-4)10-12-28-5/h7-8,13-14H,9-12,22H2,1-6H3,(H,23,24,25)