6-azanyl-2-(butylamino)-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7H-purin-8-one Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C17H19ClN6O3/c1-2-3-4-20-16-22-14(19)13-15(23-16)24(17(25)21-13)7-9-5-11-12(6-10(9)18)27-8-26-11/h5-6H,2-4,7-8H2,1H3,(H,21,25)(H3,19,20,22,23)