5-[1-[3-(3-methoxyphenyl)-4-phenylmethoxy-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[1-[3-(3-methoxyphenyl)-4-phenylmethoxy-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine Openeye Name: 5-[1-[4-benzyloxy-3-(3-methoxyphenyl)-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine CAS Name: 5-[1-[3-(3-methoxyphenyl)-4-phenylmethoxy-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine IUPAC Name: 5-[1-[3-(3-methoxyphenyl)-4-phenylmethoxy-1H-indol-6-yl]propyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[1-[4-benzoxy-3-(3-methoxyphenyl)-1H-indol-6-yl]propyl]pyrimidin-4-yl]amine Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(=CN2)C4=CC(=CC=C4)OC)C5=CN=C(N=C5N)N

Isomeric SMILES

CCC(C1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(=CN2)C4=CC(=CC=C4)OC)C5=CN=C(N=C5N)N

InChI

InChI=1S/C29H29N5O2/c1-3-22(24-16-33-29(31)34-28(24)30)20-13-25-27(26(14-20)36-17-18-8-5-4-6-9-18)23(15-32-25)19-10-7-11-21(12-19)35-2/h4-16,22,32H,3,17H2,1-2H3,(H4,30,31,33,34)