4-[(2-chloranyl-9-propan-2-yl-purin-6-yl)amino]-1-(1H-imidazol-2-yl)butan-1-one

Systemtic Name: 4-[(2-chloranyl-9-propan-2-yl-purin-6-yl)amino]-1-(1H-imidazol-2-yl)butan-1-one Openeye Name: 4-[(2-chloro-9-isopropyl-purin-6-yl)amino]-1-(1H-imidazol-2-yl)butan-1-one CAS Name: 4-[(2-chloro-9-propan-2-yl-6-purinyl)amino]-1-(1H-imidazol-2-yl)-1-butanone IUPAC Name: 4-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-1-(1H-imidazol-2-yl)butan-1-one Traditional Name: 4-[(2-chloro-9-isopropyl-purin-6-yl)amino]-1-(1H-imidazol-2-yl)butan-1-one Formula: C15H18ClN7O MolecularWeight: 347.80272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCCC(=O)C3=NC=CN3)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCCC(=O)C3=NC=CN3)Cl

InChI

InChI=1S/C15H18ClN7O/c1-9(2)23-8-20-11-13(21-15(16)22-14(11)23)17-5-3-4-10(24)12-18-6-7-19-12/h6-9H,3-5H2,1-2H3,(H,18,19)(H,17,21,22)