N-(3-azanylpropyl)-4-methyl-N-[(1R)-2-methyl-1-[9-(phenylmethyl)purin-8-yl]propyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-4-methyl-N-[(1R)-2-methyl-1-[9-(phenylmethyl)purin-8-yl]propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[(1R)-1-(9-benzylpurin-8-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-4-methyl-N-[(1R)-2-methyl-1-[9-(phenylmethyl)-8-purinyl]propyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(9-benzylpurin-8-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[(1R)-1-(9-benzylpurin-8-yl)-2-methyl-propyl]-4-methyl-benzamide Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=CN=CN=C3N2CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=CN=CN=C3N2CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H32N6O/c1-19(2)24(32(15-7-14-28)27(34)22-12-10-20(3)11-13-22)26-31-23-16-29-18-30-25(23)33(26)17-21-8-5-4-6-9-21/h4-6,8-13,16,18-19,24H,7,14-15,17,28H2,1-3H3/t24-/m1/s1