6-[bis(2-methoxyethyl)amino]-9-(2-bromanyl-4-propan-2-yl-phenyl)-2,7-dimethyl-purin-8-one

Systemtic Name: 6-[bis(2-methoxyethyl)amino]-9-(2-bromanyl-4-propan-2-yl-phenyl)-2,7-dimethyl-purin-8-one Openeye Name: 6-[bis(2-methoxyethyl)amino]-9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-purin-8-one CAS Name: 6-[bis(2-methoxyethyl)amino]-9-(2-bromo-4-propan-2-ylphenyl)-2,7-dimethyl-8-purinone IUPAC Name: 6-[bis(2-methoxyethyl)amino]-9-(2-bromo-4-propan-2-ylphenyl)-2,7-dimethylpurin-8-one Traditional Name: 6-[bis(2-methoxyethyl)amino]-9-(2-bromo-4-isopropyl-phenyl)-2,7-dimethyl-purin-8-one Formula: C22H30BrN5O3 MolecularWeight: 492.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CC1=NC2=C(C(=N1)N(CCOC)CCOC)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C22H30BrN5O3/c1-14(2)16-7-8-18(17(23)13-16)28-21-19(26(4)22(28)29)20(24-15(3)25-21)27(9-11-30-5)10-12-31-6/h7-8,13-14H,9-12H2,1-6H3