2-(1-adamantyl)-N-[2,4-bis[(4-ethoxyphenyl)amino]-6-methyl-pyrimidin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2,4-bis[(4-ethoxyphenyl)amino]-6-methyl-pyrimidin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2,4-bis(4-ethoxyanilino)-6-methyl-pyrimidin-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2,4-bis(4-ethoxyanilino)-6-methyl-5-pyrimidinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-methyl-2,6-bis(p-phenetidino)pyrimidin-5-yl]acetamide Formula: C33H41N5O3 MolecularWeight: 555.71034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2NC(=O)CC34CC5CC(C3)CC(C5)C4)C)NC6=CC=C(C=C6)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2NC(=O)CC34CC5CC(C3)CC(C5)C4)C)NC6=CC=C(C=C6)OCC

InChI

InChI=1S/C33H41N5O3/c1-4-40-27-10-6-25(7-11-27)35-31-30(21(3)34-32(38-31)36-26-8-12-28(13-9-26)41-5-2)37-29(39)20-33-17-22-14-23(18-33)16-24(15-22)19-33/h6-13,22-24H,4-5,14-20H2,1-3H3,(H,37,39)(H2,34,35,36,38)