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2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2-(phenylmethoxycarbonylamino)ethanoate

2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name:2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 2-(phenylmethoxycarbonylamino)ethanoate
Openeye Name:2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-(benzyloxycarbonylamino)acetate
CAS Name:2-(phenylmethoxycarbonylamino)acetic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester
IUPAC Name:2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-(phenylmethoxycarbonylamino)acetate
Traditional Name:2-(benzyloxycarbonylamino)acetic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester
Formula: C18H20N6O6
MolecularWeight: 416.388
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N


InChI

InChI=1S/C18H20N6O6/c19-17-22-15-14(16(26)23-17)21-10-24(15)11-28-6-7-29-13(25)8-20-18(27)30-9-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,20,27)(H3,19,22,23,26)


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