N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(2-chloranyl-9-cyclopentyl-purin-6-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine Openeye Name: N'-(2-chloro-9-cyclopentyl-purin-6-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine CAS Name: N'-(2-chloro-9-cyclopentyl-6-purinyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine IUPAC Name: N'-(2-chloro-9-cyclopentylpurin-6-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethane-1,2-diamine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethyl]amine Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNCCNC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNCCNC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C21H25ClN6O3/c1-29-15-8-13(9-16-18(15)31-12-30-16)10-23-6-7-24-19-17-20(27-21(22)26-19)28(11-25-17)14-4-2-3-5-14/h8-9,11,14,23H,2-7,10,12H2,1H3,(H,24,26,27)