N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-propanamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-propanamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-propanamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-2-methylpropanamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-2-methylpropanamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-2-methyl-propionamide Formula: C15H20N8O MolecularWeight: 328.3723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C(C)C)N)N=C1N3C=CC=N3

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C(C)C)N)N=C1N3C=CC=N3

InChI

InChI=1S/C15H20N8O/c1-4-7-22-12-10(18-15(22)23-8-5-6-17-23)11(16)19-14(20-12)21-13(24)9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H3,16,19,20,21,24)