5-[[7,8-dimethoxy-2-(2-methylpropyl)-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[7,8-dimethoxy-2-(2-methylpropyl)-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2-isobutyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[7,8-dimethoxy-2-(2-methylpropyl)-2H-1-benzopyran-5-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[7,8-dimethoxy-2-(2-methylpropyl)-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-isobutyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidin-4-yl]amine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C=CC2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC

Isomeric SMILES

CC(C)CC1C=CC2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OC

InChI

InChI=1S/C20H26N4O3/c1-11(2)7-14-5-6-15-12(8-13-10-23-20(22)24-19(13)21)9-16(25-3)18(26-4)17(15)27-14/h5-6,9-11,14H,7-8H2,1-4H3,(H4,21,22,23,24)