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2-(1-cyclohexylethylamino)-1-methyl-7-(phenylmethyl)purin-6-one

2-(1-cyclohexylethylamino)-1-methyl-7-(phenylmethyl)purin-6-one

Systemtic Name:2-(1-cyclohexylethylamino)-1-methyl-7-(phenylmethyl)purin-6-one
Openeye Name:7-benzyl-2-(1-cyclohexylethylamino)-1-methyl-purin-6-one
CAS Name:2-(1-cyclohexylethylamino)-1-methyl-7-(phenylmethyl)-6-purinone
IUPAC Name:7-benzyl-2-(1-cyclohexylethylamino)-1-methylpurin-6-one
Traditional Name:7-benzyl-2-(1-cyclohexylethylamino)-1-methyl-purin-6-one
Formula: C21H27N5O
MolecularWeight: 365.47198
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC2=NC3=C(C(=O)N2C)N(C=N3)CC4=CC=CC=C4


Isomeric SMILES

CC(C1CCCCC1)NC2=NC3=C(C(=O)N2C)N(C=N3)CC4=CC=CC=C4


InChI

InChI=1S/C21H27N5O/c1-15(17-11-7-4-8-12-17)23-21-24-19-18(20(27)25(21)2)26(14-22-19)13-16-9-5-3-6-10-16/h3,5-6,9-10,14-15,17H,4,7-8,11-13H2,1-2H3,(H,23,24)


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