1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-[(3,4-dichlorophenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-[(3,4-dichlorophenyl)methylamino]-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[6-[(3,4-dichlorobenzyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C21H23Cl2N5O MolecularWeight: 432.34622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)Cl)Cl)N=CN2C(C)C)O

Isomeric SMILES

CCC(C)(C#CC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)Cl)Cl)N=CN2C(C)C)O

InChI

InChI=1S/C21H23Cl2N5O/c1-5-21(4,29)9-8-17-26-19(18-20(27-17)28(12-25-18)13(2)3)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13,29H,5,11H2,1-4H3,(H,24,26,27)