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3-methyl-8-(1-phenylethylamino)-7-(phenylmethyl)purine-2,6-dione

3-methyl-8-(1-phenylethylamino)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name:3-methyl-8-(1-phenylethylamino)-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-3-methyl-8-(1-phenylethylamino)purine-2,6-dione
CAS Name:3-methyl-8-(1-phenylethylamino)-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-3-methyl-8-(1-phenylethylamino)purine-2,6-dione
Traditional Name:7-benzyl-3-methyl-8-(1-phenylethylamino)xanthine
Formula: C21H21N5O2
MolecularWeight: 375.42374
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C


Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C


InChI

InChI=1S/C21H21N5O2/c1-14(16-11-7-4-8-12-16)22-20-23-18-17(19(27)24-21(28)25(18)2)26(20)13-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,22,23)(H,24,27,28)


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