ethyl 2-[6-azanyl-2-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethylamino]purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-azanyl-2-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethylamino]purin-9-yl]ethanoate Openeye Name: ethyl 2-[6-amino-2-[2-[bis(benzyloxycarbonylamino)methyleneamino]ethylamino]purin-9-yl]acetate CAS Name: 2-[6-amino-2-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethylamino]-9-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-amino-2-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethylamino]purin-9-yl]acetate Traditional Name: 2-[6-amino-2-[2-[bis(benzyloxycarbonylamino)methyleneamino]ethylamino]purin-9-yl]acetic acid ethyl ester Formula: C28H31N9O6 MolecularWeight: 589.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1N=C(N=C2N)NCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1N=C(N=C2N)NCCN=C(NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31N9O6/c1-2-41-21(38)15-37-18-32-22-23(29)33-25(34-24(22)37)30-13-14-31-26(35-27(39)42-16-19-9-5-3-6-10-19)36-28(40)43-17-20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3,(H3,29,30,33,34)(H2,31,35,36,39,40)