[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-phenylmethoxy-propyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-benzyloxy-propyl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-phenylmethoxypropyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-benzoxy-propyl] ester Formula: C29H34N6O7 MolecularWeight: 578.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N6O7/c1-19(2)23(32-29(38)41-14-21-11-7-4-8-12-21)27(37)40-16-22(15-39-13-20-9-5-3-6-10-20)42-18-35-17-31-24-25(35)33-28(30)34-26(24)36/h3-12,17,19,22-23H,13-16,18H2,1-2H3,(H,32,38)(H3,30,33,34,36)