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

Systemtic Name: 1-[6-[(4-ethoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Openeye Name: 1-[6-[(4-ethoxyphenyl)methylamino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol CAS Name: 1-[6-[(4-ethoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]-3-methyl-1-pentyn-3-ol IUPAC Name: 1-[6-[(4-ethoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]-3-methylpent-1-yn-3-ol Traditional Name: 1-[6-[(4-ethoxybenzyl)amino]-9-isopropyl-purin-2-yl]-3-methyl-pent-1-yn-3-ol Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-6-23(5,29)13-12-19-26-21(20-22(27-19)28(15-25-20)16(3)4)24-14-17-8-10-18(11-9-17)30-7-2/h8-11,15-16,29H,6-7,14H2,1-5H3,(H,24,26,27)