6-(2-azanylethylamino)-9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-7H-purin-8-one

Systemtic Name: 6-(2-azanylethylamino)-9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-7H-purin-8-one Openeye Name: 6-(2-aminoethylamino)-9-(2-bromo-4-isopropyl-phenyl)-2-methyl-7H-purin-8-one CAS Name: 6-(2-aminoethylamino)-9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-7H-purin-8-one IUPAC Name: 6-(2-aminoethylamino)-9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-7H-purin-8-one Traditional Name: 6-(2-aminoethylamino)-9-(2-bromo-4-isopropyl-phenyl)-2-methyl-7H-purin-8-one Formula: C17H21BrN6O MolecularWeight: 405.29224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NCCN)NC(=O)N2C3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=NC2=C(C(=N1)NCCN)NC(=O)N2C3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C17H21BrN6O/c1-9(2)11-4-5-13(12(18)8-11)24-16-14(23-17(24)25)15(20-7-6-19)21-10(3)22-16/h4-5,8-9H,6-7,19H2,1-3H3,(H,23,25)(H,20,21,22)