N-cyclopropyl-4-methyl-3-(6-pyrrolidin-1-ylpurin-9-yl)benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-(6-pyrrolidin-1-ylpurin-9-yl)benzamide Openeye Name: N-cyclopropyl-4-methyl-3-(6-pyrrolidin-1-ylpurin-9-yl)benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-(1-pyrrolidinyl)-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-(6-pyrrolidin-1-ylpurin-9-yl)benzamide Traditional Name: N-cyclopropyl-4-methyl-3-(6-pyrrolidinopurin-9-yl)benzamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC5

InChI

InChI=1S/C20H22N6O/c1-13-4-5-14(20(27)24-15-6-7-15)10-16(13)26-12-23-17-18(21-11-22-19(17)26)25-8-2-3-9-25/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,24,27)