5-[(7,8-dimethoxy-2-pentyl-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(7,8-dimethoxy-2-pentyl-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(7,8-dimethoxy-2-pentyl-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(7,8-dimethoxy-2-pentyl-2H-1-benzopyran-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(7,8-dimethoxy-2-pentyl-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-amyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidin-4-yl]amine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C=CC2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC

Isomeric SMILES

CCCCCC1C=CC2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC

InChI

InChI=1S/C21H28N4O3/c1-4-5-6-7-15-8-9-16-13(10-14-12-24-21(23)25-20(14)22)11-17(26-2)19(27-3)18(16)28-15/h8-9,11-12,15H,4-7,10H2,1-3H3,(H4,22,23,24,25)