3-[2-[[2-chloranyl-9-(triphenylmethyl)-3,6-dihydropurin-6-yl]amino]phenyl]propan-1-ol

Systemtic Name: 3-[2-[[2-chloranyl-9-(triphenylmethyl)-3,6-dihydropurin-6-yl]amino]phenyl]propan-1-ol Openeye Name: 3-[2-[(2-chloro-9-trityl-3,6-dihydropurin-6-yl)amino]phenyl]propan-1-ol CAS Name: 3-[2-[[2-chloro-9-(triphenylmethyl)-3,6-dihydropurin-6-yl]amino]phenyl]-1-propanol IUPAC Name: 3-[2-[(2-chloro-9-trityl-3,6-dihydropurin-6-yl)amino]phenyl]propan-1-ol Traditional Name: 3-[2-[(2-chloro-9-trityl-3,6-dihydropurin-6-yl)amino]phenyl]propan-1-ol Formula: C33H30ClN5O MolecularWeight: 548.0772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC5=C4NC(=NC5NC6=CC=CC=C6CCCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC5=C4NC(=NC5NC6=CC=CC=C6CCCO)Cl

InChI

InChI=1S/C33H30ClN5O/c34-32-37-30(36-28-21-11-10-13-24(28)14-12-22-40)29-31(38-32)39(23-35-29)33(25-15-4-1-5-16-25,26-17-6-2-7-18-26)27-19-8-3-9-20-27/h1-11,13,15-21,23,30,36,40H,12,14,22H2,(H,37,38)