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

Systemtic Name: N-[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide Openeye Name: N-[3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide CAS Name: N-[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide IUPAC Name: N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide Traditional Name: N-[3-[4-(5-chloro-2-methoxy-phenyl)piperazino]propyl]-3-methoxy-4-(7H-purin-8-yl)benzamide Formula: C27H30ClN7O3 MolecularWeight: 536.0252

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN7O3/c1-37-23-7-5-19(28)15-22(23)35-12-10-34(11-13-35)9-3-8-30-27(36)18-4-6-20(24(14-18)38-2)25-32-21-16-29-17-31-26(21)33-25/h4-7,14-17H,3,8-13H2,1-2H3,(H,30,36)(H,29,31,32,33)