N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-N2,N2-bis(prop-2-enyl)purine-2,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-N2,N2-bis(prop-2-enyl)purine-2,6-diamine Openeye Name: N2,N2-diallyl-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-N2,N2-bis(prop-2-enyl)purine-2,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-9-propan-2-yl-2-N,2-N-bis(prop-2-enyl)purine-2,6-diamine Traditional Name: diallyl-[9-isopropyl-6-(p-anisylamino)purin-2-yl]amine Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CC=C)CC=C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CC=C)CC=C

InChI

InChI=1S/C22H28N6O/c1-6-12-27(13-7-2)22-25-20(19-21(26-22)28(15-24-19)16(3)4)23-14-17-8-10-18(29-5)11-9-17/h6-11,15-16H,1-2,12-14H2,3-5H3,(H,23,25,26)