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3-methyl-7-(2-phenoxyethyl)-8-[(phenylmethyl)amino]purine-2,6-dione

3-methyl-7-(2-phenoxyethyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name:3-methyl-7-(2-phenoxyethyl)-8-[(phenylmethyl)amino]purine-2,6-dione
Openeye Name:8-(benzylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
CAS Name:3-methyl-7-(2-phenoxyethyl)-8-[(phenylmethyl)amino]purine-2,6-dione
IUPAC Name:8-(benzylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Traditional Name:8-(benzylamino)-3-methyl-7-(2-phenoxyethyl)xanthine
Formula: C21H21N5O3
MolecularWeight: 391.42314
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCOC4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CCOC4=CC=CC=C4


InChI

InChI=1S/C21H21N5O3/c1-25-18-17(19(27)24-21(25)28)26(12-13-29-16-10-6-3-7-11-16)20(23-18)22-14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,22,23)(H,24,27,28)


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