2-(4-aminophenyl)sulfanyl-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-pyrimidin-4-amine

Systemtic Name: 2-(4-aminophenyl)sulfanyl-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-pyrimidin-4-amine Openeye Name: 2-(4-aminophenyl)sulfanyl-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-pyrimidin-4-amine CAS Name: 2-[(4-aminophenyl)thio]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-phenyl-4-pyrimidinamine IUPAC Name: 2-(4-aminophenyl)sulfanyl-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-phenylpyrimidin-4-amine Traditional Name: [2-[(4-aminophenyl)thio]-5-methyl-6-phenyl-pyrimidin-4-yl]-(5-methyl-1H-pyrazol-3-yl)amine Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2C)C3=CC=CC=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2C)C3=CC=CC=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C21H20N6S/c1-13-12-18(27-26-13)23-20-14(2)19(15-6-4-3-5-7-15)24-21(25-20)28-17-10-8-16(22)9-11-17/h3-12H,22H2,1-2H3,(H2,23,24,25,26,27)