N-cyclopropyl-3-[6-[2-methoxyethyl(propan-2-yl)amino]purin-9-yl]-4-methyl-benzamide

Systemtic Name: N-cyclopropyl-3-[6-[2-methoxyethyl(propan-2-yl)amino]purin-9-yl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[6-[isopropyl(2-methoxyethyl)amino]purin-9-yl]-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[6-[2-methoxyethyl(propan-2-yl)amino]-9-purinyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[6-[2-methoxyethyl(propan-2-yl)amino]purin-9-yl]-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[6-[isopropyl(2-methoxyethyl)amino]purin-9-yl]-4-methyl-benzamide Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2/c1-14(2)27(9-10-30-4)20-19-21(24-12-23-20)28(13-25-19)18-11-16(6-5-15(18)3)22(29)26-17-7-8-17/h5-6,11-14,17H,7-10H2,1-4H3,(H,26,29)