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

Systemtic Name: N-cyclopropyl-3-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[(2S)-2-(methoxymethyl)pyrrolidino]purin-9-yl]-4-methyl-benzamide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCCC5COC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N5CCC[C@H]5COC

InChI

InChI=1S/C22H26N6O2/c1-14-5-6-15(22(29)26-16-7-8-16)10-18(14)28-13-25-19-20(23-12-24-21(19)28)27-9-3-4-17(27)11-30-2/h5-6,10,12-13,16-17H,3-4,7-9,11H2,1-2H3,(H,26,29)/t17-/m0/s1