2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-phenylazanylphenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-phenylazanylphenyl)-N-propan-2-yl-ethanamide Openeye Name: N-(4-anilinophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-isopropyl-acetamide CAS Name: N-(4-anilinophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-propan-2-ylacetamide IUPAC Name: N-(4-anilinophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propan-2-ylacetamide Traditional Name: N-(4-anilinophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-isopropyl-acetamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C21H24N6OS/c1-14(2)27(20(28)13-29-21-25-18(22)12-19(23)26-21)17-10-8-16(9-11-17)24-15-6-4-3-5-7-15/h3-12,14,24H,13H2,1-2H3,(H4,22,23,25,26)