N-cyclopropyl-4-methyl-3-[6-(2-methylpyrrolidin-1-yl)purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-(2-methylpyrrolidin-1-yl)purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-(2-methylpyrrolidin-1-yl)purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(2-methyl-1-pyrrolidinyl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-(2-methylpyrrolidin-1-yl)purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-(2-methylpyrrolidino)purin-9-yl]benzamide Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CC1CCCN1C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C21H24N6O/c1-13-5-6-15(21(28)25-16-7-8-16)10-17(13)27-12-24-18-19(22-11-23-20(18)27)26-9-3-4-14(26)2/h5-6,10-12,14,16H,3-4,7-9H2,1-2H3,(H,25,28)