N-[4-[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]butyl]-N-methyl-7H-purin-6-amine

Systemtic Name: N-[4-[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]butyl]-N-methyl-7H-purin-6-amine Openeye Name: N-[4-[3-(2-furyl)-5-methyl-1H-pyrazol-4-yl]butyl]-N-methyl-7H-purin-6-amine CAS Name: N-[4-[3-(2-furanyl)-5-methyl-1H-pyrazol-4-yl]butyl]-N-methyl-7H-purin-6-amine IUPAC Name: N-[4-[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]butyl]-N-methyl-7H-purin-6-amine Traditional Name: 4-[3-(2-furyl)-5-methyl-1H-pyrazol-4-yl]butyl-methyl-(7H-purin-6-yl)amine Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C2=CC=CO2)CCCCN(C)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C(=NN1)C2=CC=CO2)CCCCN(C)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H21N7O/c1-12-13(15(24-23-12)14-7-5-9-26-14)6-3-4-8-25(2)18-16-17(20-10-19-16)21-11-22-18/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,24)(H,19,20,21,22)