ethyl 2-[(diphenylmethylidene)amino]-2-[9-(oxan-2-yl)purin-6-yl]ethanoate

Systemtic Name: ethyl 2-[(diphenylmethylidene)amino]-2-[9-(oxan-2-yl)purin-6-yl]ethanoate Openeye Name: ethyl 2-(benzhydrylideneamino)-2-(9-tetrahydropyran-2-ylpurin-6-yl)acetate CAS Name: 2-[(diphenylmethylene)amino]-2-[9-(2-oxanyl)-6-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(benzhydrylideneamino)-2-[9-(oxan-2-yl)purin-6-yl]acetate Traditional Name: 2-(benzhydrylideneamino)-2-(9-tetrahydropyran-2-ylpurin-6-yl)acetic acid ethyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C2C(=NC=N1)N(C=N2)C3CCCCO3)N=C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(C1=C2C(=NC=N1)N(C=N2)C3CCCCO3)N=C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3/c1-2-34-27(33)25(31-22(19-11-5-3-6-12-19)20-13-7-4-8-14-20)23-24-26(29-17-28-23)32(18-30-24)21-15-9-10-16-35-21/h3-8,11-14,17-18,21,25H,2,9-10,15-16H2,1H3