3-(2-bromanyl-4-propan-2-yl-phenyl)-7-(1-cyclopropylbutan-2-ylamino)-5-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromanyl-4-propan-2-yl-phenyl)-7-(1-cyclopropylbutan-2-ylamino)-5-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromo-4-isopropyl-phenyl)-7-[1-(cyclopropylmethyl)propylamino]-5-methyl-thiazolo[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromo-4-propan-2-ylphenyl)-7-(1-cyclopropylbutan-2-ylamino)-5-methyl-2-thiazolo[4,5-d]pyrimidinone IUPAC Name: 3-(2-bromo-4-propan-2-ylphenyl)-7-(1-cyclopropylbutan-2-ylamino)-5-methyl-[1,3]thiazolo[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromo-4-isopropyl-phenyl)-7-[1-(cyclopropylmethyl)propylamino]-5-methyl-thiazolo[4,5-d]pyrimidin-2-one Formula: C22H27BrN4OS MolecularWeight: 475.44498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CC1)NC2=NC(=NC3=C2SC(=O)N3C4=C(C=C(C=C4)C(C)C)Br)C

Isomeric SMILES

CCC(CC1CC1)NC2=NC(=NC3=C2SC(=O)N3C4=C(C=C(C=C4)C(C)C)Br)C

InChI

InChI=1S/C22H27BrN4OS/c1-5-16(10-14-6-7-14)26-20-19-21(25-13(4)24-20)27(22(28)29-19)18-9-8-15(12(2)3)11-17(18)23/h8-9,11-12,14,16H,5-7,10H2,1-4H3,(H,24,25,26)