N-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propyl]-4-(7H-purin-8-yl)benzamide

Systemtic Name: N-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propyl]-4-(7H-purin-8-yl)benzamide Openeye Name: N-[3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]propyl]-4-(7H-purin-8-yl)benzamide CAS Name: N-[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]propyl]-4-(7H-purin-8-yl)benzamide IUPAC Name: N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(7H-purin-8-yl)benzamide Traditional Name: N-[3-[4-(5-chloro-2-methoxy-phenyl)piperazino]propyl]-4-(7H-purin-8-yl)benzamide Formula: C26H28ClN7O2 MolecularWeight: 505.99922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)C4=NC5=NC=NC=C5N4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCNC(=O)C3=CC=C(C=C3)C4=NC5=NC=NC=C5N4

InChI

InChI=1S/C26H28ClN7O2/c1-36-23-8-7-20(27)15-22(23)34-13-11-33(12-14-34)10-2-9-29-26(35)19-5-3-18(4-6-19)24-31-21-16-28-17-30-25(21)32-24/h3-8,15-17H,2,9-14H2,1H3,(H,29,35)(H,28,30,31,32)