3-(2-bromanyl-4-propan-2-yl-phenyl)-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-(2-bromanyl-4-propan-2-yl-phenyl)-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-allyl-3-(2-bromo-4-isopropyl-phenyl)-N-(2-methoxyethyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-(2-bromo-4-propan-2-ylphenyl)-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-(2-bromo-4-propan-2-ylphenyl)-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: allyl-[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-(2-methoxyethyl)amine Formula: C20H25BrN6O MolecularWeight: 445.3561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CC=C)N=NN2C3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CC=C)N=NN2C3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C20H25BrN6O/c1-6-9-26(10-11-28-5)19-18-20(23-14(4)22-19)27(25-24-18)17-8-7-15(13(2)3)12-16(17)21/h6-8,12-13H,1,9-11H2,2-5H3