5-[[8-methoxy-4-(3-methoxyprop-1-ynyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[8-methoxy-4-(3-methoxyprop-1-ynyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-methoxy-4-(3-methoxyprop-1-ynyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-methoxy-4-(3-methoxyprop-1-ynyl)-2,2-dimethyl-1-benzopyran-6-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[8-methoxy-4-(3-methoxyprop-1-ynyl)-2,2-dimethylchromen-6-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-methoxy-4-(3-methoxyprop-1-ynyl)-2,2-dimethyl-chromen-6-yl]methyl]pyrimidin-4-yl]amine Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C#CCOC)C

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC3=CN=C(N=C3N)N)C#CCOC)C

InChI

InChI=1S/C21H24N4O3/c1-21(2)11-14(6-5-7-26-3)16-9-13(10-17(27-4)18(16)28-21)8-15-12-24-20(23)25-19(15)22/h9-12H,7-8H2,1-4H3,(H4,22,23,24,25)