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

Systemtic Name: 5-[(8-ethoxy-2,2-dimethyl-4-pyridin-4-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-ethoxy-2,2-dimethyl-4-(4-pyridyl)chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[(8-ethoxy-2,2-dimethyl-4-pyridin-4-yl-1-benzopyran-6-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(8-ethoxy-2,2-dimethyl-4-pyridin-4-ylchromen-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-ethoxy-2,2-dimethyl-4-(4-pyridyl)chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C23H25N5O2 MolecularWeight: 403.4769

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2/c1-4-29-19-11-14(9-16-13-27-22(25)28-21(16)24)10-17-18(15-5-7-26-8-6-15)12-23(2,3)30-20(17)19/h5-8,10-13H,4,9H2,1-3H3,(H4,24,25,27,28)