5-[[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCCN3)OCC)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC3=C(C=C2)OCCN3)OCC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C23H27N5O3/c1-3-29-19-10-14(9-16-13-27-23(25)28-22(16)24)11-20(30-4-2)21(19)15-5-6-18-17(12-15)26-7-8-31-18/h5-6,10-13,26H,3-4,7-9H2,1-2H3,(H4,24,25,27,28)