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

Systemtic Name: 5-[(8-ethoxy-2,2-dimethyl-4-thiophen-2-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-ethoxy-2,2-dimethyl-4-(2-thienyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[(8-ethoxy-2,2-dimethyl-4-thiophen-2-yl-1-benzopyran-6-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(8-ethoxy-2,2-dimethyl-4-thiophen-2-ylchromen-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-ethoxy-2,2-dimethyl-4-(2-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=CC=CS4

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC(O2)(C)C)C4=CC=CS4

InChI

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