N-cyclopropyl-4-methyl-3-[6-(oxolan-2-ylmethylamino)purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(oxolan-2-ylmethylamino)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(tetrahydrofuran-2-ylmethylamino)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(2-oxolanylmethylamino)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(oxolan-2-ylmethylamino)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(tetrahydrofurfurylamino)purin-9-yl]benzamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NCC5CCCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4NCC5CCCO5

InChI

InChI=1S/C21H24N6O2/c1-13-4-5-14(21(28)26-15-6-7-15)9-17(13)27-12-25-18-19(23-11-24-20(18)27)22-10-16-3-2-8-29-16/h4-5,9,11-12,15-16H,2-3,6-8,10H2,1H3,(H,26,28)(H,22,23,24)