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6-azanyl-2-(butylamino)-9-[(4-butylphenyl)methyl]-7H-purin-8-one

6-azanyl-2-(butylamino)-9-[(4-butylphenyl)methyl]-7H-purin-8-one

Systemtic Name:6-azanyl-2-(butylamino)-9-[(4-butylphenyl)methyl]-7H-purin-8-one
Openeye Name:6-amino-2-(butylamino)-9-[(4-butylphenyl)methyl]-7H-purin-8-one
CAS Name:6-amino-2-(butylamino)-9-[(4-butylphenyl)methyl]-7H-purin-8-one
IUPAC Name:6-amino-2-(butylamino)-9-[(4-butylphenyl)methyl]-7H-purin-8-one
Traditional Name:6-amino-2-(butylamino)-9-(4-butylbenzyl)-7H-purin-8-one
Formula: C20H28N6O
MolecularWeight: 368.47592
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)NCCCC)N)NC2=O


Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C3=C(C(=NC(=N3)NCCCC)N)NC2=O


InChI

InChI=1S/C20H28N6O/c1-3-5-7-14-8-10-15(11-9-14)13-26-18-16(23-20(26)27)17(21)24-19(25-18)22-12-6-4-2/h8-11H,3-7,12-13H2,1-2H3,(H,23,27)(H3,21,22,24,25)


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