2-[2-(3,4-dimethoxyphenyl)ethyl]-8-(furan-2-yl)-1,7-dihydropurine-2,6-diamine

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-8-(furan-2-yl)-1,7-dihydropurine-2,6-diamine Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2-furyl)-1,7-dihydropurine-2,6-diamine CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2-furanyl)-1,7-dihydropurine-2,6-diamine IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-8-(furan-2-yl)-1,7-dihydropurine-2,6-diamine Traditional Name: [2-amino-8-(2-furyl)-2-homoveratryl-1,7-dihydropurin-6-yl]amine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2(NC(=C3C(=N2)N=C(N3)C4=CC=CO4)N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2(NC(=C3C(=N2)N=C(N3)C4=CC=CO4)N)N)OC

InChI

InChI=1S/C19H22N6O3/c1-26-12-6-5-11(10-14(12)27-2)7-8-19(21)24-16(20)15-18(25-19)23-17(22-15)13-4-3-9-28-13/h3-6,9-10,24H,7-8,20-21H2,1-2H3,(H,22,23,25)