1-[4-[[5-bromanyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]sulfanyl-3-(diethylamino)propan-2-ol

Systemtic Name: 1-[4-[[5-bromanyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]sulfanyl-3-(diethylamino)propan-2-ol Openeye Name: 1-[4-[[5-bromo-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]sulfanyl-3-(diethylamino)propan-2-ol CAS Name: 1-[[4-[[5-bromo-4-(prop-2-ynylamino)-2-pyrimidinyl]amino]phenyl]thio]-3-(diethylamino)-2-propanol IUPAC Name: 1-[4-[[5-bromo-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]sulfanyl-3-(diethylamino)propan-2-ol Traditional Name: 1-[[4-[[5-bromo-4-(propargylamino)pyrimidin-2-yl]amino]phenyl]thio]-3-(diethylamino)propan-2-ol Formula: C20H26BrN5OS MolecularWeight: 464.42234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CSC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC#C)Br)O

Isomeric SMILES

CCN(CC)CC(CSC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC#C)Br)O

InChI

InChI=1S/C20H26BrN5OS/c1-4-11-22-19-18(21)12-23-20(25-19)24-15-7-9-17(10-8-15)28-14-16(27)13-26(5-2)6-3/h1,7-10,12,16,27H,5-6,11,13-14H2,2-3H3,(H2,22,23,24,25)