6-azanyl-2-(butylamino)-9-[(2-methylpyridin-3-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(2-methylpyridin-3-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(2-methyl-3-pyridyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(2-methyl-3-pyridinyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(2-methylpyridin-3-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(2-methyl-3-pyridyl)methyl]-7H-purin-8-one Formula: C16H21N7O MolecularWeight: 327.38424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(N=CC=C3)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(N=CC=C3)C

InChI

InChI=1S/C16H21N7O/c1-3-4-7-19-15-21-13(17)12-14(22-15)23(16(24)20-12)9-11-6-5-8-18-10(11)2/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,24)(H3,17,19,21,22)