N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-3,4-dimethoxy-benzamide Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl)OC

InChI

InChI=1S/C21H25ClN6O3/c1-30-15-8-7-13(11-16(15)31-2)20(29)24-10-9-23-18-17-19(27-21(22)26-18)28(12-25-17)14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,24,29)(H,23,26,27)