9H-fluoren-9-ylmethyl 3-(6-chloranylpurin-9-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 3-(6-chloranylpurin-9-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 3-(6-chloropurin-9-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate CAS Name: 3-(6-chloro-9-purinyl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 3-(6-chloropurin-9-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylate Traditional Name: 3-(6-chloropurin-9-yl)-3,5-dihydro-2H-4,1-benzoxazepine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C29H22ClN5O3 MolecularWeight: 523.96968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N6C=NC7=C6N=CN=C7Cl

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N6C=NC7=C6N=CN=C7Cl

InChI

InChI=1S/C29H22ClN5O3/c30-27-26-28(32-16-31-27)35(17-33-26)25-13-34(24-12-6-1-7-18(24)14-37-25)29(36)38-15-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-12,16-17,23,25H,13-15H2