3-[methoxy(phenyl)methyl]-8-[1-(thiophen-2-ylmethoxy)propan-2-yl]purin-6-amine

Systemtic Name: 3-[methoxy(phenyl)methyl]-8-[1-(thiophen-2-ylmethoxy)propan-2-yl]purin-6-amine Openeye Name: 3-[methoxy(phenyl)methyl]-8-[1-methyl-2-(2-thienylmethoxy)ethyl]purin-6-amine CAS Name: 3-[methoxy(phenyl)methyl]-8-[1-(thiophen-2-ylmethoxy)propan-2-yl]-6-purinamine IUPAC Name: 3-[methoxy(phenyl)methyl]-8-[1-(thiophen-2-ylmethoxy)propan-2-yl]purin-6-amine Traditional Name: [3-[methoxy(phenyl)methyl]-8-[1-methyl-2-(2-thenyloxy)ethyl]purin-6-yl]amine Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CS1)C2=NC3=C(N=CN(C3=N2)C(C4=CC=CC=C4)OC)N

Isomeric SMILES

CC(COCC1=CC=CS1)C2=NC3=C(N=CN(C3=N2)C(C4=CC=CC=C4)OC)N

InChI

InChI=1S/C21H23N5O2S/c1-14(11-28-12-16-9-6-10-29-16)19-24-17-18(22)23-13-26(20(17)25-19)21(27-2)15-7-4-3-5-8-15/h3-10,13-14,21H,11-12,22H2,1-2H3