5-[(8-ethoxy-2,2-dimethyl-4-prop-1-en-2-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(8-ethoxy-2,2-dimethyl-4-prop-1-en-2-yl-chromen-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(8-ethoxy-4-isopropenyl-2,2-dimethyl-chromen-6-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-ethoxy-2,2-dimethyl-4-(1-methylethenyl)-1-benzopyran-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(8-ethoxy-2,2-dimethyl-4-prop-1-en-2-ylchromen-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(8-ethoxy-4-isopropenyl-2,2-dimethyl-chromen-6-yl)methyl]pyrimidin-4-yl]amine Formula: C21H26N4O2 MolecularWeight: 366.45674

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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)C(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-6-26-17-9-13(7-14-11-24-20(23)25-19(14)22)8-15-16(12(2)3)10-21(4,5)27-18(15)17/h8-11H,2,6-7H2,1,3-5H3,(H4,22,23,24,25)