N-cyclopropyl-3-[6-[3-(dimethylamino)propyl-methyl-amino]purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-[3-(dimethylamino)propyl-methyl-amino]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[3-(dimethylamino)propyl-methyl-amino]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[3-(dimethylamino)propyl-methylamino]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[3-(dimethylamino)propyl-methylamino]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[3-(dimethylamino)propyl-methyl-amino]purin-9-yl]-4-methyl-benzamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N(C)CCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C3N=CN=C4N(C)CCCN(C)C

InChI

InChI=1S/C22H29N7O/c1-15-6-7-16(22(30)26-17-8-9-17)12-18(15)29-14-25-19-20(23-13-24-21(19)29)28(4)11-5-10-27(2)3/h6-7,12-14,17H,5,8-11H2,1-4H3,(H,26,30)