4-[(1S)-1-[(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]-2-oxidanyl-ethyl]phenol

Systemtic Name: 4-[(1S)-1-[(2-iodanyl-9-propan-2-yl-purin-6-yl)amino]-2-oxidanyl-ethyl]phenol Openeye Name: 4-[(1S)-2-hydroxy-1-[(2-iodo-9-isopropyl-purin-6-yl)amino]ethyl]phenol CAS Name: 4-[(1S)-2-hydroxy-1-[(2-iodo-9-propan-2-yl-6-purinyl)amino]ethyl]phenol IUPAC Name: 4-[(1S)-2-hydroxy-1-[(2-iodo-9-propan-2-ylpurin-6-yl)amino]ethyl]phenol Traditional Name: 4-[(1S)-2-hydroxy-1-[(2-iodo-9-isopropyl-purin-6-yl)amino]ethyl]phenol Formula: C16H18IN5O2 MolecularWeight: 439.25089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC(CO)C3=CC=C(C=C3)O)I

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N[C@H](CO)C3=CC=C(C=C3)O)I

InChI

InChI=1S/C16H18IN5O2/c1-9(2)22-8-18-13-14(20-16(17)21-15(13)22)19-12(7-23)10-3-5-11(24)6-4-10/h3-6,8-9,12,23-24H,7H2,1-2H3,(H,19,20,21)/t12-/m1/s1