5-[[3,5-diethoxy-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[3,5-diethoxy-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3,5-diethoxy-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-[4-(1-pyrrolidinylmethyl)phenyl]phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3,5-diethoxy-4-[4-(pyrrolidinomethyl)phenyl]benzyl]pyrimidin-4-yl]amine Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)CN3CCCC3)OCC)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)CN3CCCC3)OCC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C26H33N5O2/c1-3-32-22-14-19(13-21-16-29-26(28)30-25(21)27)15-23(33-4-2)24(22)20-9-7-18(8-10-20)17-31-11-5-6-12-31/h7-10,14-16H,3-6,11-13,17H2,1-2H3,(H4,27,28,29,30)