5-[(8-ethoxy-2,2-dimethyl-4-thiophen-3-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(8-ethoxy-2,2-dimethyl-4-thiophen-3-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-ethoxy-2,2-dimethyl-4-(3-thienyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-ethoxy-2,2-dimethyl-4-(3-thiophenyl)-1-benzopyran-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(8-ethoxy-2,2-dimethyl-4-thiophen-3-ylchromen-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-ethoxy-2,2-dimethyl-4-(3-thienyl)chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)C4=CSC=C4

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)C4=CSC=C4

InChI

InChI=1S/C22H24N4O2S/c1-4-27-18-9-13(7-15-11-25-21(24)26-20(15)23)8-16-17(14-5-6-29-12-14)10-22(2,3)28-19(16)18/h5-6,8-12H,4,7H2,1-3H3,(H4,23,24,25,26)